data_2cp8_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 2cp8 _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 ' 9' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.752 0.311 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.37 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.04 -63.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' MET . 3.6 mm? -60.35 -62.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' LEU . 24.1 mtp -36.44 -40.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.43 -61.37 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' ALA . 14.5 m-70 -37.51 -53.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 16' ' ' LEU . 4.4 mm? -54.03 -49.08 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -52.09 -39.42 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -74.74 -53.75 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.408 ' HE2' ' CG2' ' A' ' 42' ' ' VAL . 19.3 mtm -45.38 -64.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CD1' HD11 ' A' ' 16' ' ' LEU . 94.9 m-85 -128.15 115.14 17.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.01 43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -122.86 85.48 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -62.8 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 pt20 -67.16 -41.92 85.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 26' ' ' LEU . 3.9 mm? -66.81 -62.38 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' LEU . 2.0 m-20 -40.65 -62.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.7 mt -34.27 -63.46 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -43.01 -43.02 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ASN . 19.0 mt -71.08 -50.24 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.0 mt -45.4 -50.82 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.63 28.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -134.34 -38.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -113.31 27.7 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 55.89 42.51 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 36' ' ' TYR . 4.4 m-85 56.88 36.72 28.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.4 m-20 -81.0 83.48 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.4 tp -34.08 -40.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.62 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -58.51 -41.03 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 30' ' ' LEU . 92.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG2' ' HE2' ' A' ' 19' ' ' MET . 95.4 t -76.82 -60.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.9 m -40.11 -41.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.56 -52.77 41.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.07 -47.17 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.27 -36.47 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.1 74.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.94 -62.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.7 mm? -61.71 -53.85 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.42 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -37.4 -34.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.73 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -40.14 -54.48 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 45' ' ' LEU . 3.7 mm? -57.72 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -43.89 -31.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -72.29 -58.38 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.412 ' CE ' HD12 ' A' ' 38' ' ' ILE . 43.2 mtm -50.27 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.5 34.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.72 114.93 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -103.16 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.8 m-20 -111.45 81.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -73.45 -45.82 52.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -58.65 -36.87 74.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 37.5 tp -79.8 -60.93 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 93.3 m-20 -34.43 -60.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.0 mt -35.75 -60.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -44.26 -45.45 8.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 mt -69.47 -40.51 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.82 -64.79 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -49.89 -25.49 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 7.6 tmtm? -87.69 -33.0 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.6 m-70 -105.42 32.81 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 40.24 42.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 56.8 50.49 12.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ILE . 17.1 m-20 -102.94 84.73 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . 10.9 tp -34.06 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.1 mm? -59.89 -66.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.91 -51.74 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.01 -58.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.48 -64.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.8 m -40.24 -37.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.13 -54.44 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 16' ' ' LEU . 21.7 mt -47.66 -54.28 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -45.09 -52.01 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.763 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.62 -60.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.54 -47.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' MET . 4.2 mt -74.38 -56.71 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 5.9 mmt -35.58 -46.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -72.29 -53.5 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.3 m-70 -34.57 -38.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 27' ' ' ASN . 4.2 mm? -73.09 -52.54 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.53 -24.0 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 12.4 pt-20 -93.75 -22.56 18.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 mtm -80.03 -28.5 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.14 24.56 2.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -122.9 105.0 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 m -92.04 30.58 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.96 84.54 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 25' ' ' GLN . 51.4 ttt-85 -66.28 -62.48 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' ARG . 17.4 pt20 -36.42 -45.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.9 mt -65.22 -64.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 74.1 m-20 -34.63 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 10.9 mt -37.2 -61.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -47.4 -42.44 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.7 mt -69.1 -63.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' LEU . 45.9 mt -34.65 -64.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -42.74 -38.48 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.7 tmtm? -76.37 -40.63 50.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.557 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 95.9 m-70 -95.24 33.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.7 m-20 37.94 37.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 63.83 53.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 35.9 m-20 -110.77 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.3 tp -34.01 -40.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.4 mp -55.41 -71.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 37.8 mm-40 -50.87 -54.2 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -45.95 -63.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.39 -64.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.8 m -39.5 -36.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.37 -56.26 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -40.97 -56.39 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.77 -39.21 65.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.39 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.08 -60.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.2 mm? -60.66 -56.05 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.9 mmt -34.52 -43.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -52.38 -68.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.0 m-70 -34.51 -41.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.15 -59.16 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -49.79 -39.76 39.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 19' ' ' MET . 11.9 pt-20 -75.71 -43.77 45.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 37.9 mtm -58.73 -66.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.7 38.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -146.94 116.59 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.355 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 87.3 m -98.71 -49.91 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.1 m-20 -34.45 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -71.05 -28.82 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.32 -44.6 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.6 mm? -71.32 -62.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.1 m-20 -34.41 -63.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.6 mt -43.5 -59.33 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LEU . 13.5 mmt85 -37.2 -49.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.6 mm? -72.79 -44.03 62.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' TYR . 86.9 mt -55.13 -33.29 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -94.97 0.44 54.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 8.3 tmtt? -103.94 -58.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 81.3 m-70 -84.12 19.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 61.78 43.42 9.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.4 m-85 61.6 41.61 12.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.6 m-20 -96.05 82.37 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' ASN . 8.3 tp -34.98 -37.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -55.59 -61.16 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 60.9 mm-40 -61.22 -50.6 72.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 t -47.33 -45.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.68 -64.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -41.91 -39.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.67 -51.76 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -46.37 -60.86 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.8 mt -44.91 -41.84 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.79 0.329 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.53 -39.31 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.88 78.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.3 mm? -74.24 -46.69 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -50.12 -37.66 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -62.82 -56.59 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.2 m-70 -36.05 -35.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.81 -54.74 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -55.2 -37.02 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.9 pt-20 -77.36 -34.66 55.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.466 ' CE ' HG23 ' A' ' 42' ' ' VAL . 34.1 mtm -70.63 -68.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.87 39.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -142.25 105.37 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' ASP . 84.9 m -76.04 -33.6 59.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.5 m-20 -34.65 105.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.31 -70.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -44.4 -49.23 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.3 tp -47.54 -55.58 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' LEU . 63.1 m-20 -35.18 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' ASN . 20.5 mt -36.27 -65.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -39.25 -40.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -75.89 -51.15 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -50.19 -52.95 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -64.5 -6.16 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.2 tmtm? -102.95 -38.03 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CG ' ' HB3' ' A' ' 40' ' ' GLN . 76.0 m-70 -106.51 35.73 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 37.76 49.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 49.76 51.64 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.54 HD21 ' NE2' ' A' ' 40' ' ' GLN . 44.8 t30 -106.32 85.76 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 tp -39.74 -35.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.01 -44.4 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.54 ' NE2' HD21 ' A' ' 37' ' ' ASN . 31.1 mt-30 -79.87 -63.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' GLN . 84.4 t -36.22 -39.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG23 ' CE ' ' A' ' 19' ' ' MET . 38.9 t -73.52 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -43.52 -36.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -72.53 -41.32 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.33 -30.31 69.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.97 -7.41 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.55 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.08 -52.56 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.1 mp -74.63 -54.88 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.9 mmt -38.96 -25.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -84.11 -52.52 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.34 -56.3 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 10.8 mt -57.89 -47.64 82.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 13' ' ' MET . 5.5 m-85 -55.71 -18.28 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -99.85 -24.19 14.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 mtt -76.46 -14.96 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.97 -10.06 8.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -87.96 109.54 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.8 p -87.92 -43.61 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.28 123.83 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' GLN . 46.2 ttt180 -93.92 -70.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 14.6 pt20 -34.64 -52.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -52.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' LEU . 75.6 m-20 -37.16 -59.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.7 mt -34.61 -59.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -44.65 -64.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 34' ' ' HIS . 3.7 mm? -43.67 -44.16 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' CD2' HG21 ' A' ' 41' ' ' VAL . 66.2 mt -59.72 -68.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.64 -16.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -94.32 -32.25 13.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CD2' HD12 ' A' ' 30' ' ' LEU . 94.8 m-70 -108.96 34.34 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 44.18 39.94 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 60.12 50.09 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 30.7 m-20 -103.66 79.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 tp -34.17 -41.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.2 mp -52.63 -51.0 62.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 8.5 mt-30 -70.18 -54.28 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG21 ' CD2' ' A' ' 31' ' ' LEU . 41.3 t -46.85 -43.81 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.6 t -68.03 -58.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.8 m -48.36 -43.15 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 45' ' ' LEU . 3.6 tm-20 -66.16 -43.65 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 16.0 mt -55.44 -59.05 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -56.91 -32.03 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' HD21 ' A' ' 28' ' ' LEU . 86.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -50.44 -58.39 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.96 -31.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 6.1 mt -90.87 -57.61 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 18.3 mtp -44.46 -38.44 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 17' ' ' PHE . . . -60.6 -62.87 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -39.44 -44.75 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 13.6 mt -67.24 -38.94 86.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 22' ' ' CYS . 10.3 m-85 -64.22 -23.95 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.23 -50.02 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mtm -49.45 -56.51 9.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 159.07 34.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 83.5 m-85 -137.46 109.88 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 9.8 m -93.72 -34.13 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.3 p30 -36.38 96.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' CYS . 29.0 ttt85 -71.94 -67.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -38.55 -45.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.8 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 45.8 m-20 -41.4 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 13.0 mt -38.91 -59.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -44.57 -49.34 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.5 mt -63.4 -63.61 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 41' ' ' VAL . 41.0 mt -36.15 -64.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -44.33 -35.47 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CE1' ' A' ' 34' ' ' HIS . 1.7 tmtp? -79.33 -37.17 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 84.9 m-70 -99.02 33.22 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 39.38 36.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.434 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 86.7 m-85 64.13 50.71 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 8.1 m-20 -107.67 81.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . 10.0 tp -33.95 -33.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.5 mp -55.96 -64.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 42.0 mm-40 -60.48 -45.64 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 31' ' ' LEU . 63.8 t -54.44 -37.86 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.01 -55.99 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -50.02 -44.54 51.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.89 -49.77 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 20.2 mt -48.71 -59.05 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 mt -43.85 -39.8 4.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.94 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.71 -56.47 13.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' MET . 3.3 mm? -65.9 -58.59 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.7 mmt -34.67 -61.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.11 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -40.18 -50.89 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.95 -40.03 91.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 22' ' ' CYS . 22.5 m-85 -72.83 -3.68 27.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.34 5.3 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.437 ' CE ' HD12 ' A' ' 38' ' ' ILE . 6.1 ptp -125.42 -25.41 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.62 -18.7 3.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -88.49 121.54 30.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 25.8 p -114.18 -24.02 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 m-20 -36.17 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' CYS . 63.3 ttt180 -65.13 -72.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.65 -48.87 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' LEU . 65.5 m-20 -39.84 -54.73 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASN . 13.7 mt -37.06 -54.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -50.71 -45.72 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD12 ' CB ' ' A' ' 44' ' ' GLU . 3.7 mm? -66.35 -43.44 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' A' ' 41' ' ' VAL . 49.6 mt -61.74 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -56.1 -14.62 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.81 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 74.1 m-70 -115.64 37.89 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 39.19 36.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 66.16 55.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -105.92 104.53 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.437 HD12 ' CE ' ' A' ' 19' ' ' MET . 6.8 tp -51.06 -52.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.5 mp -48.67 -59.15 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 12.5 mm100 -57.77 -59.01 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG2' HD21 ' A' ' 31' ' ' LEU . 60.2 t -43.43 -59.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.94 -53.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.3 m -45.77 -46.27 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.86 -54.54 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' GLU . 9.1 mt -37.69 -54.38 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.98 -36.77 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 36.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.443 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 76.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.333 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -37.81 -49.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -34.76 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.1 mm? -77.93 -62.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.559 ' CE ' ' CD2' ' A' ' 28' ' ' LEU . 3.0 mmt -38.05 -44.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -55.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ALA . 72.1 m-70 -34.28 -58.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mt -53.5 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -41.91 -29.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.0 -51.07 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.466 ' CE ' HD13 ' A' ' 38' ' ' ILE . 33.7 mtm -51.28 -62.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.3 32.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -126.35 95.93 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.1 m -100.21 45.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -115.51 86.58 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' GLN . 10.9 mtt-85 -59.01 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 24' ' ' ARG . 8.4 pt20 -34.11 -45.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.4 mm? -74.23 -63.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 82.1 m-20 -37.46 -45.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' CD2' ' CE ' ' A' ' 13' ' ' MET . 2.8 mm? -51.83 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -42.98 -33.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mt -70.15 -38.41 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 36' ' ' TYR . 34.6 mt -67.53 -56.84 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.53 -4.81 9.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -109.36 -29.43 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -109.42 33.34 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 44.08 32.73 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 31' ' ' LEU . 75.6 m-85 61.77 52.46 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ILE . 13.7 m-20 -109.92 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.466 HD13 ' CE ' ' A' ' 19' ' ' MET . 5.5 tp -37.06 -33.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -58.82 -74.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.72 -45.93 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -50.73 -51.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -69.21 -60.12 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.74 -43.61 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -56.18 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 32.2 mt -40.7 -61.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -39.19 -36.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -55.16 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -36.17 -34.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' ALA . 12.5 mt -82.03 -48.65 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.455 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.5 mmt -43.21 -28.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -85.21 -52.0 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -34.45 -44.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HG ' ' CG ' ' A' ' 27' ' ' ASN . 3.8 mm? -68.32 -71.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -39.17 -37.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -68.12 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 mtm -44.14 -64.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.87 31.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.9 m-85 -123.02 104.97 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.1 m -90.66 48.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -114.99 127.23 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -97.66 -61.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 7.3 pm0 -68.38 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -64.34 -69.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LEU . 71.2 m-20 -34.19 -60.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 9.2 mt -36.5 -49.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -53.13 -46.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASN . 23.1 mt -68.79 -43.39 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.66 -63.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -52.47 -17.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.1 tmtm? -96.31 -32.73 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 89.2 m-70 -103.91 33.33 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 43.88 35.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 64.84 51.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -108.71 91.17 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 39' ' ' LEU . 7.1 tp -41.15 -29.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.8 mt -61.92 -73.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 88.1 mm-40 -49.22 -51.27 34.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 30' ' ' LEU . 96.0 t -45.96 -39.79 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' THR . 70.7 t -77.35 -57.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' VAL . 100.0 m -35.51 -46.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 11.7 tt0 -68.87 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 16.9 mt -38.62 -38.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.413 HD12 ' CG1' ' A' ' 42' ' ' VAL . 95.9 mt -75.87 -40.19 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLU . 46.8 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.46 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.01 -59.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.5 mp -58.04 -52.72 64.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' LEU . 2.9 mtt -36.75 -41.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.95 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.408 ' HA ' ' CD ' ' A' ' 18' ' ' GLU . 6.6 m-70 -40.16 -31.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.89 -48.28 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 22' ' ' CYS . 10.6 m-85 -59.9 -27.98 67.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.2 pt-20 -86.81 -36.72 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.464 ' HE2' ' CG2' ' A' ' 42' ' ' VAL . 35.5 mtm -67.89 -50.85 53.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 156.74 35.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 31.0 m-85 -151.33 110.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 29.7 p -110.21 45.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.21 83.64 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -77.29 -12.53 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.55 -56.78 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 44.1 p30 -44.73 -35.54 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.5 mt -44.04 -62.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 24.2 mtp180 -52.07 -34.61 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 45' ' ' LEU . 75.7 mt -74.06 -32.33 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -75.73 -45.01 38.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -79.95 -4.89 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 3.9 tmtm? -106.67 -47.21 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.555 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 92.9 m-70 -90.31 27.87 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.49 32.66 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 66.46 47.67 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ILE . 2.6 m-20 -99.87 85.59 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . 10.3 tp -34.03 -36.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.1 mp -66.19 -61.12 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 69.0 mt-30 -56.84 -44.96 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 30' ' ' LEU . 91.6 t -55.71 -64.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 46' ' ' LEU . 60.9 t -47.8 -58.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 97.5 m -34.2 -38.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.8 tp10 -71.47 -54.99 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 mm? -39.78 -40.61 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 42' ' ' VAL . 6.6 mp -70.77 -35.67 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 88.0 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.81 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.52 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 14' ' ' ALA . 3.3 mm? -55.85 -45.95 78.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -42.15 -24.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -89.7 -51.44 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -40.75 -44.99 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 16' ' ' LEU . 3.8 mm? -63.61 -59.49 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -49.21 -32.71 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.94 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 38' ' ' ILE . 31.0 mtm -48.52 -57.0 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.78 36.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -125.34 91.34 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 m -70.47 -37.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.1 p-10 -39.07 110.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NE ' HD12 ' A' ' 28' ' ' LEU . 2.1 tmt_? -94.4 -51.46 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -52.26 -32.8 38.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.9 -56.02 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 28' ' ' LEU . 90.7 m-20 -42.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD12 ' NE ' ' A' ' 24' ' ' ARG . 13.0 mt -35.35 -62.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.66 -44.53 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 39.3 mt -70.6 -58.79 3.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' LEU . 70.9 mt -35.67 -63.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -47.86 -34.92 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.0 tmtm? -77.26 -36.09 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 68.5 m-70 -103.46 33.06 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 p-10 37.37 35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 65.82 55.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -107.77 92.72 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.486 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 8.3 tp -48.04 -26.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 38' ' ' ILE . 3.4 mm? -68.92 -49.67 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.5 mm100 -78.04 -55.37 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -45.37 -30.35 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 38' ' ' ILE . 32.0 t -80.1 -69.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -40.97 -32.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -42.2 58.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' VAL . 22.3 mt -57.55 -35.15 69.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.95 -17.44 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.776 0.322 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -64.79 -58.29 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.21 -40.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 14' ' ' ALA . 12.7 mt -78.56 -54.84 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.444 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -34.34 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -79.22 -51.5 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.424 ' C ' ' HG2' ' A' ' 18' ' ' GLU . 2.0 t-80 -37.56 -36.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.4 mm? -78.36 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -48.55 -25.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 6.2 pt-20 -85.56 -26.95 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.467 ' CE ' HG21 ' A' ' 42' ' ' VAL . 39.3 mtm -80.17 -71.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.04 28.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.31 109.78 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.45 51.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.79 88.71 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' GLN . 7.9 ttt180 -60.8 -57.05 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 30.0 pt20 -36.48 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 30' ' ' LEU . 3.3 tt -79.37 -58.86 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 66.6 m-20 -36.92 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 11.1 mt -50.55 -61.06 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -43.16 -38.19 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 26' ' ' LEU . 19.5 mt -73.23 -58.21 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -45.09 -55.79 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -54.53 -22.88 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 8.0 tmtt? -89.98 -37.62 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' CD2' HG22 ' A' ' 41' ' ' VAL . 89.6 m-70 -96.53 30.47 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 40.45 41.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 64.36 54.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -112.78 98.29 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 39' ' ' LEU . 9.6 tp -48.33 -48.34 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.6 mm? -48.11 -69.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 28.3 mt-30 -53.34 -57.5 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 34' ' ' HIS . 25.4 t -42.06 -40.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.467 HG21 ' CE ' ' A' ' 19' ' ' MET . 88.6 t -79.61 -69.93 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -38.15 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . 4.7 tm-20 -76.76 -47.11 22.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' VAL . 19.5 mt -56.69 -27.3 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.27 -19.46 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.15 -46.17 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.02 -60.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.7 mm? -62.94 -63.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 3.4 mmt -34.56 -37.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -65.97 -73.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 21.0 m-70 -34.47 -36.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 8.5 mt -76.73 -49.0 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 m-85 -59.57 -31.2 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 11.8 pt-20 -85.39 -49.27 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.468 ' HE3' ' CG2' ' A' ' 42' ' ' VAL . 39.4 mtm -50.0 -56.83 9.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.35 39.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.1 m-85 -132.93 100.59 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' ASP . 90.5 m -79.59 -41.59 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.5 p30 -35.27 104.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 25' ' ' GLN . 1.7 tmm_? -89.43 -48.38 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 19.1 pt20 -55.32 -42.91 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.1 tp -70.83 -54.6 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.8 m-20 -35.31 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.5 mt -37.41 -59.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -45.35 -39.32 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ASN . 26.0 mt -77.16 -28.71 54.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.45 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -48.59 -28.56 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.4 tmtm? -80.29 -39.73 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.426 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.2 m-70 -99.72 30.3 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 42.72 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 63.43 48.96 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -105.1 90.35 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 5.4 tp -42.43 -29.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.11 -70.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -52.76 -53.2 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.7 t -43.36 -53.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG2' ' HE3' ' A' ' 19' ' ' MET . 30.1 t -64.97 -53.79 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.59 -43.29 8.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 tt0 -71.19 -60.14 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' GLU . 13.0 mt -34.4 -63.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -39.83 -46.77 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.04 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.96 -46.94 11.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.404 ' CD2' HD22 ' A' ' 31' ' ' LEU . 6.5 mp -76.26 -60.03 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.518 ' CE ' ' CD2' ' A' ' 28' ' ' LEU . 6.3 mmm -46.22 -29.15 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.79 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' HE3' ' A' ' 19' ' ' MET . 4.3 m-70 -68.64 -42.65 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.61 -37.69 85.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.77 -20.48 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -89.1 -48.42 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.402 ' HE3' ' C ' ' A' ' 15' ' ' HIS . 3.0 mpp? -55.26 -62.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.9 31.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CG ' HD12 ' A' ' 45' ' ' LEU . 12.2 m-85 -137.47 119.54 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.6 m -126.73 55.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 8.0 m-20 -120.93 90.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' GLN . 5.8 mmt85 -58.23 -61.88 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.6 pt20 -34.01 -54.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 43.9 tp -71.39 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 83.4 m-20 -34.42 -55.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' CD2' ' CE ' ' A' ' 13' ' ' MET . 1.3 mm? -46.07 -61.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 28.4 mtp180 -50.32 -41.54 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' HIS . 18.8 mt -62.74 -41.17 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' CD1' ' SD ' ' A' ' 13' ' ' MET . 71.8 mt -64.37 -59.38 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -66.06 -4.7 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tmtp? -108.43 -26.92 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' LEU . 70.6 m-70 -108.8 27.83 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 44.6 37.21 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 63.36 45.38 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 38' ' ' ILE . 43.6 t-20 -98.43 78.36 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -34.0 -37.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.5 mt -57.96 -71.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -48.15 -50.37 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.43 -31.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -80.91 -61.41 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 m -43.31 -36.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.39 -49.94 30.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 21' ' ' PHE . 26.7 mt -48.23 -60.35 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -46.4 -43.5 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -41.88 -53.13 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.16 -58.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.74 -57.09 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.456 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 12.2 mtp -38.23 -41.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.99 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 38' ' ' ILE . 19.1 m-70 -35.29 -39.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 45' ' ' LEU . 3.9 mm? -70.2 -56.33 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -51.98 -36.9 51.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.67 -38.58 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.413 ' HE1' ' CG2' ' A' ' 42' ' ' VAL . 32.6 mtm -62.5 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.19 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.8 97.97 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.7 p -95.46 48.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.41 92.02 2.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.71 -34.71 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -71.33 -19.21 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -94.54 -44.66 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -46.36 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.2 mt -39.15 -54.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.5 ttm105 -48.96 -57.92 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.3 mm? -48.05 -40.95 24.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.4 -70.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -53.69 -16.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -95.85 -29.74 14.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . 92.9 m-70 -113.98 35.22 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 42.36 35.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 63.57 50.09 2.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -104.52 87.3 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 15' ' ' HIS . 6.1 tp -38.0 -34.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.32 -63.59 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.12 -52.04 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 30' ' ' LEU . 88.0 t -45.08 -50.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.413 ' CG2' ' HE1' ' A' ' 19' ' ' MET . 37.9 t -69.22 -56.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.2 m -43.64 -47.83 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.19 -48.07 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 16' ' ' LEU . 13.3 mt -43.34 -43.65 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -72.75 -31.74 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.74 -47.42 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.05 -59.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD1' ' HB ' ' A' ' 38' ' ' ILE . 2.9 mm? -62.5 -63.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.47 ' CE ' ' CD2' ' A' ' 28' ' ' LEU . 3.2 mmt -35.36 -38.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.98 -56.04 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -46.22 -33.5 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 16' ' ' LEU . 3.4 mm? -73.82 -51.14 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.49 -36.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -77.56 -26.21 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.2 mtm -78.95 -66.32 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.14 33.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.7 109.59 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ARG . 24.4 p -86.42 -37.46 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -45.02 91.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' CYS . 45.5 ttt-85 -77.67 -57.54 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 28.4 pt20 -41.03 -47.98 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 26' ' ' LEU . 4.2 tt -64.52 -55.1 22.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LEU . 84.9 m-20 -36.71 -47.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD2' ' CE ' ' A' ' 13' ' ' MET . 1.4 mm? -48.44 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 27.0 mtp85 -35.62 -47.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 12.9 mt -56.84 -46.66 81.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' LEU . 65.4 mt -63.9 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -55.36 -14.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -99.98 -31.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 98.6 m-70 -111.26 30.06 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 47.06 34.54 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 63.62 48.31 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -98.42 94.17 6.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.461 ' HB ' ' CD1' ' A' ' 12' ' ' LEU . 10.3 tp -40.92 -28.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.77 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.4 mm100 -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.38 -46.93 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -73.94 -54.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.7 m -44.06 -46.12 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.4 tp10 -68.28 -59.5 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 27.2 mt -36.47 -52.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 46' ' ' LEU . 11.1 mp -56.89 -39.46 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.9 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.826 0.346 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.87 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.09 -69.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.2 -59.75 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.7 mtp -41.71 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . . . -34.74 -45.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.456 ' CG ' HD11 ' A' ' 38' ' ' ILE . 1.6 t-80 -48.23 -48.08 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.5 mm? -61.9 -41.79 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.63 -34.94 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.06 -57.37 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.8 mtm -47.74 -63.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.46 32.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -127.36 98.76 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.38 51.67 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.73 85.14 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.54 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 2.2 pp0? -61.82 -53.36 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 36.0 tp -60.91 -61.48 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LEU . 87.9 m-20 -34.35 -61.01 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.1 mt -37.27 -64.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 29' ' ' ARG . 15.4 mtp-105 -43.99 -45.23 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 57.4 mt -66.04 -61.12 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' LEU . 85.1 mt -37.69 -65.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -56.09 -24.78 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tmtp? -83.96 -25.76 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 30' ' ' LEU . 80.5 m-70 -112.34 24.65 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.58 41.17 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 61.82 49.7 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -108.31 98.41 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' CG ' ' A' ' 15' ' ' HIS . 5.7 tp -50.76 -52.43 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 2.0 mm? -45.54 -50.19 13.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' VAL . 11.5 mm100 -71.49 -64.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' GLN . 42.9 t -35.26 -35.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' GLN . 61.3 t -81.9 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.466 HG22 ' NE2' ' A' ' 47' ' ' GLN . 50.3 m -42.06 -35.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.31 -51.56 17.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.63 -51.29 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.466 ' NE2' HG22 ' A' ' 43' ' ' THR . 48.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.836 0.35 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -46.15 76.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.82 -65.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' MET . 3.5 mm? -61.67 -56.59 18.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.8 mmt -37.17 -40.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -63.48 -63.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ALA . 2.4 m-70 -35.72 -59.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HA ' ' CE ' ' A' ' 19' ' ' MET . 3.9 mm? -47.75 -57.98 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.44 -36.57 54.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.16 -60.47 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 16' ' ' LEU . 25.7 mtm -45.63 -67.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.25 34.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' CD2' HD11 ' A' ' 16' ' ' LEU . 95.3 m-85 -119.04 100.7 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.68 33.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.59 80.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -74.32 -15.81 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.44 -15.61 57.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -102.87 -56.8 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 42.4 p-10 -43.8 -37.93 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 6.9 mt -45.07 -69.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 33.0 mtm180 -44.26 -42.89 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 18.5 mt -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 HD22 ' CG2' ' A' ' 41' ' ' VAL . 93.9 mt -62.9 -71.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -48.1 -23.87 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 7.4 tmtm? -86.21 -36.34 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -103.3 31.67 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 t30 44.61 37.12 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 64.8 54.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -105.6 94.79 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -44.48 -45.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -51.99 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -50.42 -51.03 50.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 ' CG2' HD22 ' A' ' 31' ' ' LEU . 22.9 t -52.05 -69.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.47 -58.33 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -46.0 -39.16 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.8 tp10 -70.32 -60.78 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 10.5 mt -35.11 -56.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.43 -43.75 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' GLU . 77.4 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.832 0.349 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.06 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 10.1 mt -56.04 -53.51 56.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 6.6 mmt -40.92 -34.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -87.09 -53.51 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -38.24 -45.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 16' ' ' LEU . 4.5 mm? -60.49 -46.83 88.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.48 -38.26 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 15' ' ' HIS . 9.4 pt-20 -83.17 -25.53 31.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.439 ' CE ' HD11 ' A' ' 16' ' ' LEU . 20.5 mtm -73.52 -65.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.42 37.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 85.0 m-85 -142.75 120.02 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.1 t -84.38 -71.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' CYS . 17.8 m-20 -35.47 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' CYS . 15.2 ptt180 -77.21 -45.15 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -42.55 -44.46 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD13 ' A' ' 30' ' ' LEU . 6.4 tt -59.41 -55.07 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' LEU . 19.6 m-20 -44.32 -64.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.5 mt -34.21 -66.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -38.77 -50.97 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' HIS . 49.9 mt -64.69 -40.93 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.11 -68.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -53.64 -15.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -99.63 -26.23 14.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' LEU . 99.2 m-70 -117.48 40.76 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 37' ' ' ASN . 7.2 p-10 41.53 53.5 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.449 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 23.2 m-85 34.26 43.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 40' ' ' GLN . 52.4 p-10 -87.99 75.81 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . 5.7 tp -33.9 -39.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -64.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -67.16 -61.15 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' GLN . 86.3 t -37.14 -34.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 t -83.38 -60.09 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -45.65 -37.96 6.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.19 -56.83 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 22.6 mt -42.73 -53.94 4.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.72 -46.29 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -61.74 139.24 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -130.3 166.72 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.28 166.83 23.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -54.86 160.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -42.19 -45.12 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.08 -167.87 53.95 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.98 41.9 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 m -90.2 -54.18 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.37 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.04 -63.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' MET . 3.6 mm? -60.35 -62.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' LEU . 24.1 mtp -36.44 -40.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.43 -61.37 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' ALA . 14.5 m-70 -37.51 -53.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 16' ' ' LEU . 4.4 mm? -54.03 -49.08 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -52.09 -39.42 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -74.74 -53.75 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.408 ' HE2' ' CG2' ' A' ' 42' ' ' VAL . 19.3 mtm -45.38 -64.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CD1' HD11 ' A' ' 16' ' ' LEU . 94.9 m-85 -128.15 115.14 17.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.01 43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -122.86 85.48 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -62.8 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 6.3 pt20 -67.16 -41.92 85.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 26' ' ' LEU . 3.9 mm? -66.81 -62.38 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' LEU . 2.0 m-20 -40.65 -62.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.7 mt -34.27 -63.46 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -43.01 -43.02 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ASN . 19.0 mt -71.08 -50.24 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.0 mt -45.4 -50.82 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.63 28.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -134.34 -38.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -113.31 27.7 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 55.89 42.51 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 36' ' ' TYR . 4.4 m-85 56.88 36.72 28.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.4 m-20 -81.0 83.48 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.4 tp -34.08 -40.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.62 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -58.51 -41.03 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 30' ' ' LEU . 92.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG2' ' HE2' ' A' ' 19' ' ' MET . 95.4 t -76.82 -60.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.9 m -40.11 -41.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.56 -52.77 41.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.07 -47.17 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.27 -36.47 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.6 -52.76 41.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.5 mt -47.39 -61.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -78.26 133.82 37.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.05 169.5 14.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -11.18 30.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -79.77 90.86 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -118.59 -45.41 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m 58.4 42.15 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -118.15 164.64 14.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 167.52 12.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -81.68 165.97 20.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -168.45 136.01 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.76 163.25 10.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -97.02 21.5 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.4 m -56.86 -52.13 66.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.1 74.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.94 -62.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.7 mm? -61.71 -53.85 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.42 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -37.4 -34.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.73 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -40.14 -54.48 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 45' ' ' LEU . 3.7 mm? -57.72 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -43.89 -31.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -72.29 -58.38 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.412 ' CE ' HD12 ' A' ' 38' ' ' ILE . 43.2 mtm -50.27 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.5 34.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.72 114.93 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -103.16 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.8 m-20 -111.45 81.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -73.45 -45.82 52.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -58.65 -36.87 74.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 37.5 tp -79.8 -60.93 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 93.3 m-20 -34.43 -60.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.0 mt -35.75 -60.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -44.26 -45.45 8.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 mt -69.47 -40.51 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.82 -64.79 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -49.89 -25.49 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 7.6 tmtm? -87.69 -33.0 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.6 m-70 -105.42 32.81 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 40.24 42.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 56.8 50.49 12.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ILE . 17.1 m-20 -102.94 84.73 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . 10.9 tp -34.06 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.1 mm? -59.89 -66.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.91 -51.74 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.01 -58.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.48 -64.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.8 m -40.24 -37.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.13 -54.44 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 16' ' ' LEU . 21.7 mt -47.66 -54.28 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -45.09 -52.01 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -29.39 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -88.55 48.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -163.15 128.1 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.98 77.25 0.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -25.79 28.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 p -66.69 -49.17 66.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -84.2 100.6 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -71.86 139.61 48.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -76.34 105.85 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.7 -65.33 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -85.92 112.84 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.41 170.65 47.87 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.13 64.23 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m -95.26 -62.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.62 -60.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.54 -47.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' MET . 4.2 mt -74.38 -56.71 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 5.9 mmt -35.58 -46.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -72.29 -53.5 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.3 m-70 -34.57 -38.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 27' ' ' ASN . 4.2 mm? -73.09 -52.54 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.53 -24.0 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 12.4 pt-20 -93.75 -22.56 18.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 mtm -80.03 -28.5 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.14 24.56 2.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -122.9 105.0 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 m -92.04 30.58 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.96 84.54 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 25' ' ' GLN . 51.4 ttt-85 -66.28 -62.48 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' ARG . 17.4 pt20 -36.42 -45.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.9 mt -65.22 -64.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 74.1 m-20 -34.63 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 10.9 mt -37.2 -61.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -47.4 -42.44 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.7 mt -69.1 -63.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' LEU . 45.9 mt -34.65 -64.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -42.74 -38.48 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.7 tmtm? -76.37 -40.63 50.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.557 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 95.9 m-70 -95.24 33.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.7 m-20 37.94 37.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 63.83 53.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 35.9 m-20 -110.77 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.3 tp -34.01 -40.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.4 mp -55.41 -71.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 37.8 mm-40 -50.87 -54.2 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -45.95 -63.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.39 -64.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.8 m -39.5 -36.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.37 -56.26 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -40.97 -56.39 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.77 -39.21 65.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.28 -52.07 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -48.89 -45.12 40.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 m -95.16 174.84 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.47 146.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -4.87 14.87 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.9 p -41.23 113.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -113.63 95.64 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -115.82 107.28 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -169.4 157.49 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.22 -73.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -95.66 134.22 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -45.28 -57.92 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.69 89.32 2.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -51.45 -47.84 62.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -41.19 -54.5 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.39 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.08 -60.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.2 mm? -60.66 -56.05 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.9 mmt -34.52 -43.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -52.38 -68.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.0 m-70 -34.51 -41.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.15 -59.16 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -49.79 -39.76 39.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 19' ' ' MET . 11.9 pt-20 -75.71 -43.77 45.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 37.9 mtm -58.73 -66.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.7 38.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -146.94 116.59 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.355 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 87.3 m -98.71 -49.91 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.1 m-20 -34.45 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -71.05 -28.82 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.32 -44.6 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 27' ' ' ASN . 3.6 mm? -71.32 -62.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.1 m-20 -34.41 -63.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.6 mt -43.5 -59.33 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LEU . 13.5 mmt85 -37.2 -49.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.6 mm? -72.79 -44.03 62.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' TYR . 86.9 mt -55.13 -33.29 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -94.97 0.44 54.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 8.3 tmtt? -103.94 -58.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 81.3 m-70 -84.12 19.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 61.78 43.42 9.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.4 m-85 61.6 41.61 12.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.6 m-20 -96.05 82.37 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' ASN . 8.3 tp -34.98 -37.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -55.59 -61.16 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 60.9 mm-40 -61.22 -50.6 72.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 t -47.33 -45.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.68 -64.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -41.91 -39.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.67 -51.76 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -46.37 -60.86 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.8 mt -44.91 -41.84 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.07 -47.31 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 mt -59.66 -42.12 92.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -62.41 -47.95 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.2 -90.78 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -116.89 116.6 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.1 p -142.29 123.53 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -124.88 162.24 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -82.79 43.54 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.73 82.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.539 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -64.59 114.55 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -63.14 114.74 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' THR . . . 171.7 50.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' O ' ' CD2' ' A' ' 36' ' ' TYR . 13.3 pt20 -55.06 85.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' GLY . 18.4 m -112.53 -74.67 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.53 -39.31 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.88 78.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.3 mm? -74.24 -46.69 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -50.12 -37.66 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -62.82 -56.59 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.2 m-70 -36.05 -35.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.81 -54.74 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -55.2 -37.02 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.9 pt-20 -77.36 -34.66 55.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.466 ' CE ' HG23 ' A' ' 42' ' ' VAL . 34.1 mtm -70.63 -68.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.87 39.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -142.25 105.37 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' ASP . 84.9 m -76.04 -33.6 59.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.5 m-20 -34.65 105.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.31 -70.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -44.4 -49.23 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.3 tp -47.54 -55.58 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' LEU . 63.1 m-20 -35.18 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' ASN . 20.5 mt -36.27 -65.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -39.25 -40.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -75.89 -51.15 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -50.19 -52.95 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -64.5 -6.16 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.2 tmtm? -102.95 -38.03 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CG ' ' HB3' ' A' ' 40' ' ' GLN . 76.0 m-70 -106.51 35.73 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 37.76 49.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.507 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 65.1 m-85 49.76 51.64 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.54 HD21 ' NE2' ' A' ' 40' ' ' GLN . 44.8 t30 -106.32 85.76 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 tp -39.74 -35.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.01 -44.4 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.54 ' NE2' HD21 ' A' ' 37' ' ' ASN . 31.1 mt-30 -79.87 -63.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' GLN . 84.4 t -36.22 -39.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG23 ' CE ' ' A' ' 19' ' ' MET . 38.9 t -73.52 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -43.52 -36.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -72.53 -41.32 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.33 -30.31 69.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.97 -7.41 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -87.13 -39.26 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.5 mt -64.36 -47.68 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.8 m -36.84 -49.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.35 147.62 21.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.88 51.78 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' SER . 43.2 t -72.03 -46.35 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' SER . 97.3 p 34.4 46.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -88.11 108.12 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -88.56 166.79 13.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.47 -128.9 2.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t 67.32 42.32 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -83.63 141.55 31.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.72 -163.13 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 56.37 40.69 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 m -84.63 -49.71 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.55 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.08 -52.56 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' ALA . 6.1 mp -74.63 -54.88 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.9 mmt -38.96 -25.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -84.11 -52.52 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.34 -56.3 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 10.8 mt -57.89 -47.64 82.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 13' ' ' MET . 5.5 m-85 -55.71 -18.28 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -99.85 -24.19 14.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 mtt -76.46 -14.96 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.97 -10.06 8.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -87.96 109.54 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.8 p -87.92 -43.61 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.28 123.83 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' GLN . 46.2 ttt180 -93.92 -70.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 14.6 pt20 -34.64 -52.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -52.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' LEU . 75.6 m-20 -37.16 -59.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.7 mt -34.61 -59.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -44.65 -64.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 34' ' ' HIS . 3.7 mm? -43.67 -44.16 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' CD2' HG21 ' A' ' 41' ' ' VAL . 66.2 mt -59.72 -68.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.64 -16.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -94.32 -32.25 13.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CD2' HD12 ' A' ' 30' ' ' LEU . 94.8 m-70 -108.96 34.34 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 44.18 39.94 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 60.12 50.09 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 30.7 m-20 -103.66 79.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 tp -34.17 -41.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.2 mp -52.63 -51.0 62.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 8.5 mt-30 -70.18 -54.28 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG21 ' CD2' ' A' ' 31' ' ' LEU . 41.3 t -46.85 -43.81 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.6 t -68.03 -58.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.8 m -48.36 -43.15 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 45' ' ' LEU . 3.6 tm-20 -66.16 -43.65 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 16.0 mt -55.44 -59.05 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -56.91 -32.03 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -62.29 -48.97 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.02 -45.21 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.3 t -71.68 110.4 6.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.25 157.86 9.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.37 25.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 m -82.77 153.24 25.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 m -106.45 -48.41 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -168.14 159.15 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -49.52 148.0 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.4 -151.65 7.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.0 m -80.03 83.55 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.896 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 57.9 m -36.87 151.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.17 -114.09 3.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' THR . 1.2 tp-100 -52.45 -40.12 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.456 ' CG2' HD21 ' A' ' 28' ' ' LEU . 86.7 m -35.3 -62.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -50.44 -58.39 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.96 -31.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 6.1 mt -90.87 -57.61 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 18.3 mtp -44.46 -38.44 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 17' ' ' PHE . . . -60.6 -62.87 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -39.44 -44.75 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 13.6 mt -67.24 -38.94 86.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 22' ' ' CYS . 10.3 m-85 -64.22 -23.95 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.23 -50.02 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mtm -49.45 -56.51 9.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 159.07 34.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 83.5 m-85 -137.46 109.88 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 9.8 m -93.72 -34.13 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.3 p30 -36.38 96.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' CYS . 29.0 ttt85 -71.94 -67.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -38.55 -45.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.8 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 45.8 m-20 -41.4 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 13.0 mt -38.91 -59.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -44.57 -49.34 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.5 mt -63.4 -63.61 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 41' ' ' VAL . 41.0 mt -36.15 -64.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -44.33 -35.47 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CE1' ' A' ' 34' ' ' HIS . 1.7 tmtp? -79.33 -37.17 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 84.9 m-70 -99.02 33.22 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 39.38 36.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.434 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 86.7 m-85 64.13 50.71 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 8.1 m-20 -107.67 81.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . 10.0 tp -33.95 -33.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.5 mp -55.96 -64.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 42.0 mm-40 -60.48 -45.64 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 31' ' ' LEU . 63.8 t -54.44 -37.86 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.01 -55.99 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -50.02 -44.54 51.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.89 -49.77 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 20.2 mt -48.71 -59.05 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 mt -43.85 -39.8 4.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -72.04 -60.65 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -39.99 -53.35 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -90.16 112.09 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.81 -174.45 21.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.18 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -64.61 164.46 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.0 p 41.18 42.19 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t 63.13 42.9 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.404 . . . . 0.0 110.889 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -68.14 -52.65 32.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.84 85.98 0.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -38.43 131.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -91.46 163.21 14.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.34 -122.5 5.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.23 -51.05 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.8 m -45.55 -43.98 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.94 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.71 -56.47 13.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' MET . 3.3 mm? -65.9 -58.59 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.7 mmt -34.67 -61.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.11 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -40.18 -50.89 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.95 -40.03 91.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 22' ' ' CYS . 22.5 m-85 -72.83 -3.68 27.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.34 5.3 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.437 ' CE ' HD12 ' A' ' 38' ' ' ILE . 6.1 ptp -125.42 -25.41 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.62 -18.7 3.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -88.49 121.54 30.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 25.8 p -114.18 -24.02 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 m-20 -36.17 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' CYS . 63.3 ttt180 -65.13 -72.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.65 -48.87 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' LEU . 65.5 m-20 -39.84 -54.73 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASN . 13.7 mt -37.06 -54.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -50.71 -45.72 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD12 ' CB ' ' A' ' 44' ' ' GLU . 3.7 mm? -66.35 -43.44 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' A' ' 41' ' ' VAL . 49.6 mt -61.74 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -56.1 -14.62 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.81 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 74.1 m-70 -115.64 37.89 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 39.19 36.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 66.16 55.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -105.92 104.53 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.437 HD12 ' CE ' ' A' ' 19' ' ' MET . 6.8 tp -51.06 -52.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.5 mp -48.67 -59.15 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 12.5 mm100 -57.77 -59.01 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG2' HD21 ' A' ' 31' ' ' LEU . 60.2 t -43.43 -59.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.94 -53.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.3 m -45.77 -46.27 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.86 -54.54 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' GLU . 9.1 mt -37.69 -54.38 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.98 -36.77 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 36.5 mm-40 -71.2 -50.97 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -49.64 -48.08 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 m -39.14 111.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.48 -167.76 39.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.73 6.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.7 m 46.93 42.12 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -87.17 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -91.45 120.86 32.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -60.45 137.9 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.96 50.66 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -137.79 113.99 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -51.38 138.75 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.78 -83.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -109.37 77.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.443 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 76.9 m -101.12 -73.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -37.81 -49.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -34.76 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 2.1 mm? -77.93 -62.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.559 ' CE ' ' CD2' ' A' ' 28' ' ' LEU . 3.0 mmt -38.05 -44.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -55.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ALA . 72.1 m-70 -34.28 -58.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mt -53.5 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -41.91 -29.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.0 -51.07 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.466 ' CE ' HD13 ' A' ' 38' ' ' ILE . 33.7 mtm -51.28 -62.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.3 32.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -126.35 95.93 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.1 m -100.21 45.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -115.51 86.58 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' GLN . 10.9 mtt-85 -59.01 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 24' ' ' ARG . 8.4 pt20 -34.11 -45.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.4 mm? -74.23 -63.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 82.1 m-20 -37.46 -45.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' CD2' ' CE ' ' A' ' 13' ' ' MET . 2.8 mm? -51.83 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -42.98 -33.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mt -70.15 -38.41 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 36' ' ' TYR . 34.6 mt -67.53 -56.84 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.53 -4.81 9.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -109.36 -29.43 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -109.42 33.34 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 44.08 32.73 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 31' ' ' LEU . 75.6 m-85 61.77 52.46 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ILE . 13.7 m-20 -109.92 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.466 HD13 ' CE ' ' A' ' 19' ' ' MET . 5.5 tp -37.06 -33.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -58.82 -74.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.72 -45.93 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -50.73 -51.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -69.21 -60.12 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.74 -43.61 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -56.18 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 32.2 mt -40.7 -61.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -39.19 -36.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -78.26 -43.85 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.24 -46.98 84.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 t -53.49 122.72 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.73 83.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -95.99 -48.61 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -76.38 122.91 25.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.6 m -37.14 -46.47 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -90.02 -45.88 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.71 123.16 1.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -102.82 102.75 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -154.85 124.38 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.86 -171.64 31.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -91.34 44.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -101.1 -50.22 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -55.16 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -36.17 -34.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' ALA . 12.5 mt -82.03 -48.65 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.455 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.5 mmt -43.21 -28.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -85.21 -52.0 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -34.45 -44.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HG ' ' CG ' ' A' ' 27' ' ' ASN . 3.8 mm? -68.32 -71.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -39.17 -37.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -68.12 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.2 mtm -44.14 -64.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.87 31.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.9 m-85 -123.02 104.97 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.1 m -90.66 48.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -114.99 127.23 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -97.66 -61.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 7.3 pm0 -68.38 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -64.34 -69.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LEU . 71.2 m-20 -34.19 -60.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 9.2 mt -36.5 -49.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -53.13 -46.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ASN . 23.1 mt -68.79 -43.39 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.66 -63.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -52.47 -17.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.1 tmtm? -96.31 -32.73 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 89.2 m-70 -103.91 33.33 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 43.88 35.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 64.84 51.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -108.71 91.17 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 39' ' ' LEU . 7.1 tp -41.15 -29.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.8 mt -61.92 -73.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 88.1 mm-40 -49.22 -51.27 34.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 30' ' ' LEU . 96.0 t -45.96 -39.79 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' THR . 70.7 t -77.35 -57.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' VAL . 100.0 m -35.51 -46.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 11.7 tt0 -68.87 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 16.9 mt -38.62 -38.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.413 HD12 ' CG1' ' A' ' 42' ' ' VAL . 95.9 mt -75.87 -40.19 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLU . 46.8 mt-30 -63.77 -46.36 85.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.3 mt -44.05 -53.91 5.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.4 t -91.0 149.35 21.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.05 173.06 39.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -22.28 32.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.12 78.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.4 p -64.82 128.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -125.52 -52.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -96.8 106.55 18.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.57 -78.4 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.9 161.9 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -85.93 140.68 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.41 -154.03 8.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -101.58 42.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.5 m -81.78 -52.02 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.46 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.01 -59.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.5 mp -58.04 -52.72 64.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' LEU . 2.9 mtt -36.75 -41.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.95 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.408 ' HA ' ' CD ' ' A' ' 18' ' ' GLU . 6.6 m-70 -40.16 -31.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.89 -48.28 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 22' ' ' CYS . 10.6 m-85 -59.9 -27.98 67.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.2 pt-20 -86.81 -36.72 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.464 ' HE2' ' CG2' ' A' ' 42' ' ' VAL . 35.5 mtm -67.89 -50.85 53.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 156.74 35.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 31.0 m-85 -151.33 110.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 29.7 p -110.21 45.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.21 83.64 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -77.29 -12.53 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.55 -56.78 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 44.1 p30 -44.73 -35.54 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.5 mt -44.04 -62.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 24.2 mtp180 -52.07 -34.61 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 45' ' ' LEU . 75.7 mt -74.06 -32.33 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -75.73 -45.01 38.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -79.95 -4.89 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 3.9 tmtm? -106.67 -47.21 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.555 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 92.9 m-70 -90.31 27.87 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.49 32.66 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 66.46 47.67 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ILE . 2.6 m-20 -99.87 85.59 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . 10.3 tp -34.03 -36.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.1 mp -66.19 -61.12 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 69.0 mt-30 -56.84 -44.96 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 30' ' ' LEU . 91.6 t -55.71 -64.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 46' ' ' LEU . 60.9 t -47.8 -58.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 97.5 m -34.2 -38.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.8 tp10 -71.47 -54.99 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 mm? -39.78 -40.61 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 42' ' ' VAL . 6.6 mp -70.77 -35.67 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 88.0 mm-40 -55.97 -48.24 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.7 mt -48.71 -41.46 31.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -100.44 171.17 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.69 173.02 13.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.65 20.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 t -100.72 138.77 37.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.6 m -120.22 128.66 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -38.54 136.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -96.86 -39.94 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.27 -53.94 17.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -53.59 -51.74 62.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -43.45 126.03 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.1 178.69 31.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -106.58 41.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 m -58.97 -61.05 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.81 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.52 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 14' ' ' ALA . 3.3 mm? -55.85 -45.95 78.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -42.15 -24.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -89.7 -51.44 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -40.75 -44.99 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 16' ' ' LEU . 3.8 mm? -63.61 -59.49 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -49.21 -32.71 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.94 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 38' ' ' ILE . 31.0 mtm -48.52 -57.0 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.78 36.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -125.34 91.34 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 m -70.47 -37.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.1 p-10 -39.07 110.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NE ' HD12 ' A' ' 28' ' ' LEU . 2.1 tmt_? -94.4 -51.46 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -52.26 -32.8 38.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.9 -56.02 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 28' ' ' LEU . 90.7 m-20 -42.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD12 ' NE ' ' A' ' 24' ' ' ARG . 13.0 mt -35.35 -62.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.66 -44.53 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 39.3 mt -70.6 -58.79 3.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' LEU . 70.9 mt -35.67 -63.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -47.86 -34.92 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.0 tmtm? -77.26 -36.09 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 68.5 m-70 -103.46 33.06 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 p-10 37.37 35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 65.82 55.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -107.77 92.72 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.486 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 8.3 tp -48.04 -26.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 38' ' ' ILE . 3.4 mm? -68.92 -49.67 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.5 mm100 -78.04 -55.37 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.0 t -45.37 -30.35 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 38' ' ' ILE . 32.0 t -80.1 -69.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -40.97 -32.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -42.2 58.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' VAL . 22.3 mt -57.55 -35.15 69.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.95 -17.44 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -83.04 -39.15 21.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.25 -50.14 74.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -67.44 102.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.6 76.49 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -16.16 37.53 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.9 m -81.71 152.01 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -140.39 127.25 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -119.09 -46.16 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -100.11 113.11 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.61 132.6 5.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -70.38 134.12 47.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -54.77 156.67 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.32 169.9 12.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -82.93 84.95 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.4 m -92.38 -56.04 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -64.79 -58.29 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.21 -40.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 14' ' ' ALA . 12.7 mt -78.56 -54.84 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.444 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -34.34 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -79.22 -51.5 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.424 ' C ' ' HG2' ' A' ' 18' ' ' GLU . 2.0 t-80 -37.56 -36.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.4 mm? -78.36 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -48.55 -25.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 6.2 pt-20 -85.56 -26.95 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.467 ' CE ' HG21 ' A' ' 42' ' ' VAL . 39.3 mtm -80.17 -71.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.04 28.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.31 109.78 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.45 51.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.79 88.71 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' GLN . 7.9 ttt180 -60.8 -57.05 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . 30.0 pt20 -36.48 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 30' ' ' LEU . 3.3 tt -79.37 -58.86 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 66.6 m-20 -36.92 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 11.1 mt -50.55 -61.06 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -43.16 -38.19 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 26' ' ' LEU . 19.5 mt -73.23 -58.21 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -45.09 -55.79 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -54.53 -22.88 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 8.0 tmtt? -89.98 -37.62 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' CD2' HG22 ' A' ' 41' ' ' VAL . 89.6 m-70 -96.53 30.47 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 40.45 41.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 64.36 54.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -112.78 98.29 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 39' ' ' LEU . 9.6 tp -48.33 -48.34 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.6 mm? -48.11 -69.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 28.3 mt-30 -53.34 -57.5 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 34' ' ' HIS . 25.4 t -42.06 -40.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.467 HG21 ' CE ' ' A' ' 19' ' ' MET . 88.6 t -79.61 -69.93 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -38.15 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . 4.7 tm-20 -76.76 -47.11 22.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' VAL . 19.5 mt -56.69 -27.3 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.27 -19.46 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.15 -37.76 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.32 -51.07 63.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -121.24 116.4 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 83.27 1.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.33 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -174.63 152.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -71.5 -7.89 50.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -95.62 149.91 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -56.56 -48.4 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.58 137.6 2.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -78.35 88.31 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -157.83 157.57 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.13 83.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -95.28 40.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -80.43 -53.94 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.15 -46.17 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.02 -60.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.7 mm? -62.94 -63.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 3.4 mmt -34.56 -37.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -65.97 -73.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 21.0 m-70 -34.47 -36.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 8.5 mt -76.73 -49.0 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 m-85 -59.57 -31.2 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 11.8 pt-20 -85.39 -49.27 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.468 ' HE3' ' CG2' ' A' ' 42' ' ' VAL . 39.4 mtm -50.0 -56.83 9.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.35 39.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.1 m-85 -132.93 100.59 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' ASP . 90.5 m -79.59 -41.59 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.5 p30 -35.27 104.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 25' ' ' GLN . 1.7 tmm_? -89.43 -48.38 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 19.1 pt20 -55.32 -42.91 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.1 tp -70.83 -54.6 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.8 m-20 -35.31 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.5 mt -37.41 -59.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -45.35 -39.32 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ASN . 26.0 mt -77.16 -28.71 54.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.45 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -48.59 -28.56 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.4 tmtm? -80.29 -39.73 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.426 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.2 m-70 -99.72 30.3 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 42.72 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 63.43 48.96 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -105.1 90.35 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' ' HG ' ' A' ' 16' ' ' LEU . 5.4 tp -42.43 -29.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.11 -70.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -52.76 -53.2 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.7 t -43.36 -53.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG2' ' HE3' ' A' ' 19' ' ' MET . 30.1 t -64.97 -53.79 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.59 -43.29 8.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 tt0 -71.19 -60.14 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 44' ' ' GLU . 13.0 mt -34.4 -63.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -39.83 -46.77 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 31.6 mt-30 -64.14 -54.07 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' GLN . 48.4 mt -37.47 -59.15 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -109.6 94.4 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.68 146.21 18.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.05 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.214 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -143.38 135.42 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -79.23 135.14 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -85.69 92.53 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -142.85 126.1 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.32 -126.67 2.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -174.75 165.81 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -43.24 113.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.76 129.06 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' THR . 79.9 mt-30 -99.26 -58.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 3.9 m -35.25 -58.46 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.04 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.96 -46.94 11.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.404 ' CD2' HD22 ' A' ' 31' ' ' LEU . 6.5 mp -76.26 -60.03 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.518 ' CE ' ' CD2' ' A' ' 28' ' ' LEU . 6.3 mmm -46.22 -29.15 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.79 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' HE3' ' A' ' 19' ' ' MET . 4.3 m-70 -68.64 -42.65 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.61 -37.69 85.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.77 -20.48 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -89.1 -48.42 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.402 ' HE3' ' C ' ' A' ' 15' ' ' HIS . 3.0 mpp? -55.26 -62.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.9 31.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CG ' HD12 ' A' ' 45' ' ' LEU . 12.2 m-85 -137.47 119.54 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.6 m -126.73 55.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 8.0 m-20 -120.93 90.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' GLN . 5.8 mmt85 -58.23 -61.88 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.6 pt20 -34.01 -54.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 43.9 tp -71.39 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 83.4 m-20 -34.42 -55.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' CD2' ' CE ' ' A' ' 13' ' ' MET . 1.3 mm? -46.07 -61.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 28.4 mtp180 -50.32 -41.54 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' HIS . 18.8 mt -62.74 -41.17 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' CD1' ' SD ' ' A' ' 13' ' ' MET . 71.8 mt -64.37 -59.38 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -66.06 -4.7 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tmtp? -108.43 -26.92 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' LEU . 70.6 m-70 -108.8 27.83 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 44.6 37.21 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 63.36 45.38 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 38' ' ' ILE . 43.6 t-20 -98.43 78.36 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -34.0 -37.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.5 mt -57.96 -71.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -48.15 -50.37 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.43 -31.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -80.91 -61.41 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 m -43.31 -36.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.39 -49.94 30.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 21' ' ' PHE . 26.7 mt -48.23 -60.35 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -46.4 -43.5 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.79 -53.74 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mt -48.85 -44.83 40.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -67.8 -58.49 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.91 148.4 6.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 83.97 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.5 m -94.81 98.83 11.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 42.17 46.32 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -105.83 99.43 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -74.08 -57.11 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.34 106.13 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -148.02 162.17 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 t -66.37 147.8 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.35 -85.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 69.74 35.14 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.952 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.3 m -71.51 -53.68 13.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -41.88 -53.13 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.16 -58.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.74 -57.09 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.456 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 12.2 mtp -38.23 -41.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.99 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 38' ' ' ILE . 19.1 m-70 -35.29 -39.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 45' ' ' LEU . 3.9 mm? -70.2 -56.33 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -51.98 -36.9 51.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.67 -38.58 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.413 ' HE1' ' CG2' ' A' ' 42' ' ' VAL . 32.6 mtm -62.5 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.19 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.8 97.97 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.7 p -95.46 48.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.41 92.02 2.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.71 -34.71 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -71.33 -19.21 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -94.54 -44.66 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -46.36 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.2 mt -39.15 -54.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.5 ttm105 -48.96 -57.92 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.3 mm? -48.05 -40.95 24.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.4 -70.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -53.69 -16.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -95.85 -29.74 14.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . 92.9 m-70 -113.98 35.22 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 42.36 35.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 63.57 50.09 2.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -104.52 87.3 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 15' ' ' HIS . 6.1 tp -38.0 -34.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.32 -63.59 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.12 -52.04 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 30' ' ' LEU . 88.0 t -45.08 -50.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.413 ' CG2' ' HE1' ' A' ' 19' ' ' MET . 37.9 t -69.22 -56.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.2 m -43.64 -47.83 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.19 -48.07 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 16' ' ' LEU . 13.3 mt -43.34 -43.65 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -72.75 -31.74 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.17 -44.73 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.33 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -72.89 138.72 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.15 -93.55 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.78 2.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.24 . . . . 0.0 112.379 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -120.99 107.0 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -53.0 118.75 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.519 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -82.26 -60.94 2.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -103.83 121.83 43.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.96 -107.77 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -82.21 -55.24 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -66.76 -45.83 77.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.13 123.83 24.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -73.22 79.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.9 m -107.73 -58.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.74 -47.42 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.05 -59.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD1' ' HB ' ' A' ' 38' ' ' ILE . 2.9 mm? -62.5 -63.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.47 ' CE ' ' CD2' ' A' ' 28' ' ' LEU . 3.2 mmt -35.36 -38.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.98 -56.04 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -46.22 -33.5 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 16' ' ' LEU . 3.4 mm? -73.82 -51.14 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.49 -36.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -77.56 -26.21 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.2 mtm -78.95 -66.32 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.14 33.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.7 109.59 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ARG . 24.4 p -86.42 -37.46 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -45.02 91.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' CYS . 45.5 ttt-85 -77.67 -57.54 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 28.4 pt20 -41.03 -47.98 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 26' ' ' LEU . 4.2 tt -64.52 -55.1 22.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LEU . 84.9 m-20 -36.71 -47.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD2' ' CE ' ' A' ' 13' ' ' MET . 1.4 mm? -48.44 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 27.0 mtp85 -35.62 -47.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 12.9 mt -56.84 -46.66 81.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' LEU . 65.4 mt -63.9 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -55.36 -14.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -99.98 -31.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 98.6 m-70 -111.26 30.06 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 47.06 34.54 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 63.62 48.31 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -98.42 94.17 6.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 ' HB ' ' CD1' ' A' ' 12' ' ' LEU . 10.3 tp -40.92 -28.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.77 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.4 mm100 -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.38 -46.93 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -73.94 -54.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.7 m -44.06 -46.12 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.4 tp10 -68.28 -59.5 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 27.2 mt -36.47 -52.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 46' ' ' LEU . 11.1 mp -56.89 -39.46 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.9 mt-30 -67.79 -54.18 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.6 mt -46.35 -53.83 10.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.0 t -120.55 111.06 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.83 -159.38 21.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.03 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.322 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -97.4 135.27 39.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 p -108.8 42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -109.28 80.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -67.95 125.47 26.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.83 123.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -76.8 116.74 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -120.09 124.33 45.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.33 164.18 22.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.55 37.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.391 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m -44.9 -69.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.87 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.09 -69.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.2 -59.75 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.7 mtp -41.71 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . . . -34.74 -45.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.456 ' CG ' HD11 ' A' ' 38' ' ' ILE . 1.6 t-80 -48.23 -48.08 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' MET . 3.5 mm? -61.9 -41.79 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.63 -34.94 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.06 -57.37 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.8 mtm -47.74 -63.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.46 32.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -127.36 98.76 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.38 51.67 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.73 85.14 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.54 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 2.2 pp0? -61.82 -53.36 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 36.0 tp -60.91 -61.48 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LEU . 87.9 m-20 -34.35 -61.01 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.1 mt -37.27 -64.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 29' ' ' ARG . 15.4 mtp-105 -43.99 -45.23 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 57.4 mt -66.04 -61.12 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' LEU . 85.1 mt -37.69 -65.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -56.09 -24.78 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tmtp? -83.96 -25.76 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 30' ' ' LEU . 80.5 m-70 -112.34 24.65 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.58 41.17 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 61.82 49.7 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -108.31 98.41 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' CG ' ' A' ' 15' ' ' HIS . 5.7 tp -50.76 -52.43 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 2.0 mm? -45.54 -50.19 13.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' VAL . 11.5 mm100 -71.49 -64.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' GLN . 42.9 t -35.26 -35.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' GLN . 61.3 t -81.9 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.466 HG22 ' NE2' ' A' ' 47' ' ' GLN . 50.3 m -42.06 -35.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.31 -51.56 17.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.63 -51.29 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.466 ' NE2' HG22 ' A' ' 43' ' ' THR . 48.7 mt-30 -64.92 -46.56 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.64 -56.28 23.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -158.3 140.57 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.55 -158.18 30.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.68 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -63.58 176.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 p -121.13 160.44 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -69.07 170.78 9.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -100.77 132.12 46.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.89 -100.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -128.44 139.67 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -154.08 123.11 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.49 -148.68 16.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -121.19 40.3 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -68.77 -45.31 71.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -46.15 76.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.82 -65.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 13' ' ' MET . 3.5 mm? -61.67 -56.59 18.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.8 mmt -37.17 -40.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -63.48 -63.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ALA . 2.4 m-70 -35.72 -59.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HA ' ' CE ' ' A' ' 19' ' ' MET . 3.9 mm? -47.75 -57.98 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.44 -36.57 54.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.16 -60.47 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 16' ' ' LEU . 25.7 mtm -45.63 -67.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.25 34.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' CD2' HD11 ' A' ' 16' ' ' LEU . 95.3 m-85 -119.04 100.7 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.68 33.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.59 80.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -74.32 -15.81 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.44 -15.61 57.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -102.87 -56.8 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 42.4 p-10 -43.8 -37.93 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 6.9 mt -45.07 -69.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 33.0 mtm180 -44.26 -42.89 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 18.5 mt -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD22 ' CG2' ' A' ' 41' ' ' VAL . 93.9 mt -62.9 -71.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -48.1 -23.87 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 7.4 tmtm? -86.21 -36.34 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -103.3 31.67 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 t30 44.61 37.12 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 64.8 54.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -105.6 94.79 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -44.48 -45.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -51.99 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -50.42 -51.03 50.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 ' CG2' HD22 ' A' ' 31' ' ' LEU . 22.9 t -52.05 -69.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.47 -58.33 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -46.0 -39.16 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.8 tp10 -70.32 -60.78 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 10.5 mt -35.11 -56.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.43 -43.75 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' GLU . 77.4 mm-40 -55.94 -55.38 33.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' GLN . 3.7 mm? -36.23 -53.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 t -39.35 -57.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.75 176.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 103.89 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -141.07 137.6 32.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -90.5 157.59 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -74.62 111.87 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -113.86 126.84 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.91 78.91 0.6 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -110.74 42.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -63.33 121.97 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -113.26 5.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -120.43 82.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.3 m -109.54 -49.96 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.06 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 10.1 mt -56.04 -53.51 56.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 6.6 mmt -40.92 -34.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -87.09 -53.51 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -38.24 -45.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 16' ' ' LEU . 4.5 mm? -60.49 -46.83 88.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.48 -38.26 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 15' ' ' HIS . 9.4 pt-20 -83.17 -25.53 31.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.439 ' CE ' HD11 ' A' ' 16' ' ' LEU . 20.5 mtm -73.52 -65.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.42 37.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 85.0 m-85 -142.75 120.02 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.1 t -84.38 -71.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' CYS . 17.8 m-20 -35.47 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' CYS . 15.2 ptt180 -77.21 -45.15 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -42.55 -44.46 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD13 ' A' ' 30' ' ' LEU . 6.4 tt -59.41 -55.07 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' LEU . 19.6 m-20 -44.32 -64.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.5 mt -34.21 -66.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -38.77 -50.97 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' HIS . 49.9 mt -64.69 -40.93 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.11 -68.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -53.64 -15.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -99.63 -26.23 14.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' LEU . 99.2 m-70 -117.48 40.76 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 37' ' ' ASN . 7.2 p-10 41.53 53.5 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.449 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 23.2 m-85 34.26 43.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 40' ' ' GLN . 52.4 p-10 -87.99 75.81 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . 5.7 tp -33.9 -39.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -64.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -67.16 -61.15 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' GLN . 86.3 t -37.14 -34.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 t -83.38 -60.09 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -45.65 -37.96 6.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.19 -56.83 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 22.6 mt -42.73 -53.94 4.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.72 -46.29 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -63.85 -23.69 67.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.37 46.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -166.71 147.62 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.5 -65.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.86 8.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -39.16 -54.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -44.84 103.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.752 0.311 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.37 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.04 -63.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.6 mm? -60.35 -62.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' LEU . 24.1 mtp -36.44 -40.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.43 -61.37 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' ALA . 14.5 m-70 -37.51 -53.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.4 mm? -54.03 -49.08 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -52.09 -39.42 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -74.74 -53.75 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.3 mtm -45.38 -64.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.15 115.14 17.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.01 43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -122.86 85.48 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -67.16 -41.92 85.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.81 -62.38 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' LEU . 2.0 m-20 -40.65 -62.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.7 mt -34.27 -63.46 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -43.01 -43.02 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HG22 ' A' ' 41' ' ' VAL . 19.0 mt -71.08 -50.24 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 13' ' ' MET . 86.0 mt -45.4 -50.82 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.63 28.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -134.34 -38.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -113.31 27.7 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 55.89 42.51 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 36' ' ' TYR . 4.4 m-85 56.88 36.72 28.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.4 m-20 -81.0 83.48 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 39' ' ' LEU . 7.4 tp -34.08 -40.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 38' ' ' ILE . 4.6 mm? -60.62 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -58.51 -41.03 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 30' ' ' LEU . 92.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' ILE . 95.4 t -76.82 -60.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.9 m -40.11 -41.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.56 -52.77 41.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 42' ' ' VAL . 18.0 mt -51.07 -47.17 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 43' ' ' THR . 25.4 mt -54.27 -36.47 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.1 74.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.94 -62.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.7 mm? -61.71 -53.85 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -37.4 -34.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.73 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -40.14 -54.48 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.7 mm? -57.72 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -43.89 -31.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -72.29 -58.38 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.551 ' HE1' HD11 ' A' ' 38' ' ' ILE . 43.2 mtm -50.27 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.5 34.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.72 114.93 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -103.16 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.8 m-20 -111.45 81.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -73.45 -45.82 52.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -58.65 -36.87 74.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 37.5 tp -79.8 -60.93 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 93.3 m-20 -34.43 -60.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 6.0 mt -35.75 -60.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -44.26 -45.45 8.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 mt -69.47 -40.51 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.149 HD23 HG21 ' A' ' 41' ' ' VAL . 89.3 mt -60.82 -64.79 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -49.89 -25.49 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 7.6 tmtm? -87.69 -33.0 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.6 m-70 -105.42 32.81 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 40.24 42.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 56.8 50.49 12.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ILE . 17.1 m-20 -102.94 84.73 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.551 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.9 tp -34.06 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.1 mm? -59.89 -66.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.91 -51.74 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.149 HG21 HD23 ' A' ' 31' ' ' LEU . 92.4 t -51.01 -58.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 38' ' ' ILE . 42.3 t -54.48 -64.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.8 m -40.24 -37.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.13 -54.44 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 42' ' ' VAL . 21.7 mt -47.66 -54.28 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -45.09 -52.01 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.763 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.62 -60.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.54 -47.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD12 HD22 ' A' ' 31' ' ' LEU . 4.2 mt -74.38 -56.71 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 5.9 mmt -35.58 -46.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -72.29 -53.5 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.3 m-70 -34.57 -38.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 38' ' ' ILE . 4.2 mm? -73.09 -52.54 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.53 -24.0 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 12.4 pt-20 -93.75 -22.56 18.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 mtm -80.03 -28.5 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.14 24.56 2.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -122.9 105.0 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 m -92.04 30.58 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.96 84.54 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 25' ' ' GLN . 51.4 ttt-85 -66.28 -62.48 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' ARG . 17.4 pt20 -36.42 -45.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.9 mt -65.22 -64.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 74.1 m-20 -34.63 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 10.9 mt -37.2 -61.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -47.4 -42.44 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.7 mt -69.1 -63.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 41' ' ' VAL . 45.9 mt -34.65 -64.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -42.74 -38.48 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.7 tmtm? -76.37 -40.63 50.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 95.9 m-70 -95.24 33.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.7 m-20 37.94 37.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 63.83 53.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 35.9 m-20 -110.77 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.3 tp -34.01 -40.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 38' ' ' ILE . 5.4 mp -55.41 -71.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 37.8 mm-40 -50.87 -54.2 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.986 HG21 HD23 ' A' ' 31' ' ' LEU . 84.3 t -45.95 -63.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.39 -64.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.8 m -39.5 -36.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.37 -56.26 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -40.97 -56.39 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.77 -39.21 65.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.39 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.08 -60.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.2 mm? -60.66 -56.05 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.9 mmt -34.52 -43.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -52.38 -68.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.0 m-70 -34.51 -41.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.2 mm? -67.15 -59.16 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -49.79 -39.76 39.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 19' ' ' MET . 11.9 pt-20 -75.71 -43.77 45.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.463 ' HE1' HD13 ' A' ' 16' ' ' LEU . 37.9 mtm -58.73 -66.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.7 38.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -146.94 116.59 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.355 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 87.3 m -98.71 -49.91 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.1 m-20 -34.45 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -71.05 -28.82 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 26' ' ' LEU . 15.9 pt20 -56.32 -44.6 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.6 mm? -71.32 -62.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.1 m-20 -34.41 -63.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.6 mt -43.5 -59.33 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LEU . 13.5 mmt85 -37.2 -49.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.918 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.6 mm? -72.79 -44.03 62.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 41' ' ' VAL . 86.9 mt -55.13 -33.29 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HE2' HD22 ' A' ' 28' ' ' LEU . 40.9 mttm -94.97 0.44 54.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 8.3 tmtt? -103.94 -58.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 81.3 m-70 -84.12 19.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.78 43.42 9.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.4 m-85 61.6 41.61 12.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.6 m-20 -96.05 82.37 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.504 HG23 HD23 ' A' ' 39' ' ' LEU . 8.3 tp -34.98 -37.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -55.59 -61.16 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.589 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 60.9 mm-40 -61.22 -50.6 72.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.918 HG22 ' HB3' ' A' ' 30' ' ' LEU . 58.5 t -47.33 -45.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.68 -64.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -41.91 -39.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.67 -51.76 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -46.37 -60.86 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.8 mt -44.91 -41.84 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.79 0.329 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.53 -39.31 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.88 78.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.3 mm? -74.24 -46.69 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -50.12 -37.66 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -62.82 -56.59 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.2 m-70 -36.05 -35.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.6 mm? -72.81 -54.74 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -55.2 -37.02 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.9 pt-20 -77.36 -34.66 55.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtm -70.63 -68.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.87 39.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -142.25 105.37 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' ASP . 84.9 m -76.04 -33.6 59.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.5 m-20 -34.65 105.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.31 -70.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -44.4 -49.23 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.3 tp -47.54 -55.58 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' LEU . 63.1 m-20 -35.18 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' ASN . 20.5 mt -36.27 -65.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -39.25 -40.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -75.89 -51.15 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 41' ' ' VAL . 44.0 mt -50.19 -52.95 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -64.5 -6.16 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.2 tmtm? -102.95 -38.03 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 40' ' ' GLN . 76.0 m-70 -106.51 35.73 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 37.76 49.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 49.76 51.64 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.458 HD22 HD13 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -106.32 85.76 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 tp -39.74 -35.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 37' ' ' ASN . 5.1 mp -59.01 -44.4 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.531 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 31.1 mt-30 -79.87 -63.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.724 HG21 HD23 ' A' ' 31' ' ' LEU . 84.4 t -36.22 -39.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.52 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -43.52 -36.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -72.53 -41.32 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.33 -30.31 69.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.97 -7.41 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.55 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.08 -52.56 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.768 HD22 HD22 ' A' ' 31' ' ' LEU . 6.1 mp -74.63 -54.88 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.9 mmt -38.96 -25.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -84.11 -52.52 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.34 -56.3 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 38' ' ' ILE . 10.8 mt -57.89 -47.64 82.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 13' ' ' MET . 5.5 m-85 -55.71 -18.28 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -99.85 -24.19 14.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 mtt -76.46 -14.96 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.97 -10.06 8.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -87.96 109.54 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.8 p -87.92 -43.61 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.28 123.83 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' GLN . 46.2 ttt180 -93.92 -70.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 14.6 pt20 -34.64 -52.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -52.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' LEU . 75.6 m-20 -37.16 -59.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.7 mt -34.61 -59.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -44.65 -64.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.74 ' CB ' HG13 ' A' ' 41' ' ' VAL . 3.7 mm? -43.67 -44.16 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.109 HD23 HG21 ' A' ' 41' ' ' VAL . 66.2 mt -59.72 -68.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.64 -16.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -94.32 -32.25 13.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.444 ' CE1' ' CD ' ' A' ' 33' ' ' LYS . 94.8 m-70 -108.96 34.34 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 44.18 39.94 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' HD21 ' A' ' 12' ' ' LEU . 90.0 m-85 60.12 50.09 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 30.7 m-20 -103.66 79.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 16' ' ' LEU . 6.0 tp -34.17 -41.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.2 mp -52.63 -51.0 62.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 8.5 mt-30 -70.18 -54.28 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.109 HG21 HD23 ' A' ' 31' ' ' LEU . 41.3 t -46.85 -43.81 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 38' ' ' ILE . 86.6 t -68.03 -58.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.8 m -48.36 -43.15 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.575 ' CG ' HD11 ' A' ' 30' ' ' LEU . 3.6 tm-20 -66.16 -43.65 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 16.0 mt -55.44 -59.05 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -56.91 -32.03 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.426 HG21 HD21 ' A' ' 28' ' ' LEU . 86.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -50.44 -58.39 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.96 -31.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 36' ' ' TYR . 6.1 mt -90.87 -57.61 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 18.3 mtp -44.46 -38.44 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 17' ' ' PHE . . . -60.6 -62.87 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -39.44 -44.75 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 45' ' ' LEU . 13.6 mt -67.24 -38.94 86.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' CYS . 10.3 m-85 -64.22 -23.95 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.23 -50.02 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mtm -49.45 -56.51 9.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 159.07 34.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 83.5 m-85 -137.46 109.88 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 9.8 m -93.72 -34.13 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.3 p30 -36.38 96.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' CYS . 29.0 ttt85 -71.94 -67.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -38.55 -45.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 26' ' ' LEU . 6.1 tt -60.8 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 45.8 m-20 -41.4 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 13.0 mt -38.91 -59.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -44.57 -49.34 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 41' ' ' VAL . 12.5 mt -63.4 -63.61 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.078 HD23 HG21 ' A' ' 41' ' ' VAL . 41.0 mt -36.15 -64.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -44.33 -35.47 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CE1' ' A' ' 34' ' ' HIS . 1.7 tmtp? -79.33 -37.17 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 84.9 m-70 -99.02 33.22 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 39.38 36.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.489 ' HB3' HD11 ' A' ' 12' ' ' LEU . 86.7 m-85 64.13 50.71 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 8.1 m-20 -107.67 81.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.0 tp -33.95 -33.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.5 mp -55.96 -64.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 42.0 mm-40 -60.48 -45.64 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.078 HG21 HD23 ' A' ' 31' ' ' LEU . 63.8 t -54.44 -37.86 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 38' ' ' ILE . 38.4 t -75.01 -55.99 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -50.02 -44.54 51.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.89 -49.77 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' A' ' 16' ' ' LEU . 20.2 mt -48.71 -59.05 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 mt -43.85 -39.8 4.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.94 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.71 -56.47 13.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.9 -58.59 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.7 mmt -34.67 -61.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.11 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -40.18 -50.89 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.95 -40.03 91.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 22' ' ' CYS . 22.5 m-85 -72.83 -3.68 27.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.34 5.3 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.1 ptp -125.42 -25.41 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.62 -18.7 3.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -88.49 121.54 30.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 25.8 p -114.18 -24.02 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 m-20 -36.17 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' CYS . 63.3 ttt180 -65.13 -72.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.65 -48.87 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -54.41 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' LEU . 65.5 m-20 -39.84 -54.73 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.779 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.7 mt -37.06 -54.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -50.71 -45.72 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 41' ' ' VAL . 3.7 mm? -66.35 -43.44 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.904 HD23 HG21 ' A' ' 41' ' ' VAL . 49.6 mt -61.74 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.779 ' HE2' HD22 ' A' ' 28' ' ' LEU . 37.2 mttm -56.1 -14.62 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.81 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 74.1 m-70 -115.64 37.89 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 39.19 36.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 66.16 55.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 t-20 -105.92 104.53 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 39' ' ' LEU . 6.8 tp -51.06 -52.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.609 ' N ' HG23 ' A' ' 38' ' ' ILE . 5.5 mp -48.67 -59.15 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 12.5 mm100 -57.77 -59.01 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.904 HG21 HD23 ' A' ' 31' ' ' LEU . 60.2 t -43.43 -59.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 96.2 t -56.94 -53.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.3 m -45.77 -46.27 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.86 -54.54 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 42' ' ' VAL . 9.1 mt -37.69 -54.38 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.98 -36.77 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . 36.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 76.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.333 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -37.81 -49.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -34.76 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.1 mm? -77.93 -62.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.929 ' CE ' HD22 ' A' ' 28' ' ' LEU . 3.0 mmt -38.05 -44.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -55.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.57 ' HB2' HD13 ' A' ' 38' ' ' ILE . 72.1 m-70 -34.28 -58.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 41' ' ' VAL . 10.4 mt -53.5 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -41.91 -29.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.0 -51.07 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.523 ' CE ' HD11 ' A' ' 38' ' ' ILE . 33.7 mtm -51.28 -62.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.3 32.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -126.35 95.93 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.1 m -100.21 45.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -115.51 86.58 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' GLN . 10.9 mtt-85 -59.01 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.591 ' HG3' HD23 ' A' ' 26' ' ' LEU . 8.4 pt20 -34.11 -45.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.4 mm? -74.23 -63.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 82.1 m-20 -37.46 -45.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' CE ' ' A' ' 13' ' ' MET . 2.8 mm? -51.83 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -42.98 -33.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' A' ' 41' ' ' VAL . 20.6 mt -70.15 -38.41 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 41' ' ' VAL . 34.6 mt -67.53 -56.84 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.53 -4.81 9.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -109.36 -29.43 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -109.42 33.34 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 44.08 32.73 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 9' ' ' THR . 75.6 m-85 61.77 52.46 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ILE . 13.7 m-20 -109.92 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.5 tp -37.06 -33.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -58.82 -74.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.72 -45.93 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 31' ' ' LEU . 48.0 t -50.73 -51.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 16' ' ' LEU . 32.2 t -69.21 -60.12 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.74 -43.61 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -56.18 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 32.2 mt -40.7 -61.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -39.19 -36.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -55.16 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -36.17 -34.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' ALA . 12.5 mt -82.03 -48.65 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.461 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.5 mmt -43.21 -28.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -85.21 -52.0 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.456 ' CB ' HD13 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -34.45 -44.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.8 mm? -68.32 -71.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -39.17 -37.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -68.12 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.444 ' CE ' HD13 ' A' ' 16' ' ' LEU . 56.2 mtm -44.14 -64.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.87 31.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.9 m-85 -123.02 104.97 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.1 m -90.66 48.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -114.99 127.23 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -97.66 -61.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 7.3 pm0 -68.38 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -64.34 -69.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.4 m120 -34.19 -60.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' HE3' ' A' ' 32' ' ' LYS . 9.2 mt -36.5 -49.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -53.13 -46.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' CB ' HG13 ' A' ' 41' ' ' VAL . 23.1 mt -68.79 -43.39 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 41' ' ' VAL . 60.7 mt -61.66 -63.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' HD22 ' A' ' 28' ' ' LEU . 77.3 mttt -52.47 -17.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 4.1 tmtm? -96.31 -32.73 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 39.0 m80 -103.91 33.33 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 43.88 35.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' HD11 ' A' ' 12' ' ' LEU . 83.6 m-85 64.84 51.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -108.71 91.17 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.1 tp -41.15 -29.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 38' ' ' ILE . 3.8 mt -61.92 -73.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 88.1 mm-40 -49.22 -51.27 34.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.974 HG21 HD23 ' A' ' 31' ' ' LEU . 96.0 t -45.96 -39.79 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 38' ' ' ILE . 70.7 t -77.35 -57.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' VAL . 100.0 m -35.51 -46.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 11.7 tt0 -68.87 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 16.9 mt -38.62 -38.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.87 -40.19 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLU . 46.8 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.46 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.01 -59.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.5 mp -58.04 -52.72 64.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.513 ' HE1' ' OD1' ' A' ' 27' ' ' ASN . 2.9 mtt -36.75 -41.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.95 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.47 ' O ' ' HE2' ' A' ' 19' ' ' MET . 6.6 m-70 -40.16 -31.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -76.89 -48.28 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' CYS . 10.6 m-85 -59.9 -27.98 67.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.2 pt-20 -86.81 -36.72 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 38' ' ' ILE . 35.5 mtm -67.89 -50.85 53.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 156.74 35.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 31.0 m-85 -151.33 110.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 29.7 p -110.21 45.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.21 83.64 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -77.29 -12.53 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.55 -56.78 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' HE1' ' A' ' 13' ' ' MET . 44.1 p30 -44.73 -35.54 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.5 mt -44.04 -62.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 24.2 mtp180 -52.07 -34.61 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.675 ' CB ' HG13 ' A' ' 41' ' ' VAL . 75.7 mt -74.06 -32.33 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD23 HG21 ' A' ' 41' ' ' VAL . 90.9 mt -75.73 -45.01 38.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -79.95 -4.89 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 3.9 tmtm? -106.67 -47.21 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 92.9 m-70 -90.31 27.87 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.49 32.66 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 66.46 47.67 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ILE . 2.6 m-20 -99.87 85.59 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.3 tp -34.03 -36.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.1 mp -66.19 -61.12 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 69.0 mt-30 -56.84 -44.96 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.675 HG13 ' CB ' ' A' ' 30' ' ' LEU . 91.6 t -55.71 -64.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' HA ' HD23 ' A' ' 45' ' ' LEU . 60.9 t -47.8 -58.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 97.5 m -34.2 -38.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.8 tp10 -71.47 -54.99 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 mm? -39.78 -40.61 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 mp -70.77 -35.67 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' GLU . 88.0 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.81 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.52 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -55.85 -45.95 78.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -42.15 -24.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -89.7 -51.44 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CB ' HD13 ' A' ' 38' ' ' ILE . 1.4 m-70 -40.75 -44.99 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.61 -59.49 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -49.21 -32.71 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.94 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 38' ' ' ILE . 31.0 mtm -48.52 -57.0 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.78 36.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -125.34 91.34 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 m -70.47 -37.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.1 p-10 -39.07 110.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 25' ' ' GLN . 2.1 tmt_? -94.4 -51.46 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -52.26 -32.8 38.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 45' ' ' LEU . 4.1 tt -75.9 -56.02 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 28' ' ' LEU . 90.7 m-20 -42.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.0 mt -35.35 -62.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.66 -44.53 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 39.3 mt -70.6 -58.79 3.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 70.9 mt -35.67 -63.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.3 mptp? -47.86 -34.92 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.0 tmtm? -77.26 -36.09 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 68.5 m-70 -103.46 33.06 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 p-10 37.37 35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 65.82 55.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -107.77 92.72 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.3 tp -48.04 -26.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 38' ' ' ILE . 3.4 mm? -68.92 -49.67 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.5 mm100 -78.04 -55.37 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 97.0 t -45.37 -30.35 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 38' ' ' ILE . 32.0 t -80.1 -69.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -40.97 -32.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -42.2 58.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 26' ' ' LEU . 22.3 mt -57.55 -35.15 69.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.95 -17.44 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.776 0.322 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -64.79 -58.29 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.21 -40.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD1' HD22 ' A' ' 31' ' ' LEU . 12.7 mt -78.56 -54.84 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE1' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -34.34 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -79.22 -51.5 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' C ' ' HG2' ' A' ' 18' ' ' GLU . 2.0 t-80 -37.56 -36.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -78.36 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -48.55 -25.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 6.2 pt-20 -85.56 -26.95 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HD13 ' A' ' 16' ' ' LEU . 39.3 mtm -80.17 -71.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.04 28.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.31 109.78 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.45 51.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.79 88.71 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' GLN . 7.9 ttt180 -60.8 -57.05 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 30.0 pt20 -36.48 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 HD21 ' A' ' 45' ' ' LEU . 3.3 tt -79.37 -58.86 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 66.6 m-20 -36.92 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HE2' ' A' ' 32' ' ' LYS . 11.1 mt -50.55 -61.06 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -43.16 -38.19 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' OE1' ' A' ' 44' ' ' GLU . 19.5 mt -73.23 -58.21 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.028 HD23 HG21 ' A' ' 41' ' ' VAL . 89.5 mt -45.09 -55.79 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.9 mptp? -54.53 -22.88 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 8.0 tmtt? -89.98 -37.62 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 89.6 m-70 -96.53 30.47 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 40.45 41.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 64.36 54.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -112.78 98.29 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 tp -48.33 -48.34 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.6 mm? -48.11 -69.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 43' ' ' THR . 28.3 mt-30 -53.34 -57.5 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.028 HG21 HD23 ' A' ' 31' ' ' LEU . 25.4 t -42.06 -40.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' ILE . 88.6 t -79.61 -69.93 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 40' ' ' GLN . 1.4 t -38.15 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' A' ' 30' ' ' LEU . 4.7 tm-20 -76.76 -47.11 22.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 HD22 ' A' ' 26' ' ' LEU . 19.5 mt -56.69 -27.3 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.27 -19.46 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.15 -46.17 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.02 -60.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.7 mm? -62.94 -63.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.514 ' HE3' ' HG ' ' A' ' 28' ' ' LEU . 3.4 mmt -34.56 -37.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -65.97 -73.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HB2' HD13 ' A' ' 38' ' ' ILE . 21.0 m-70 -34.47 -36.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 8.5 mt -76.73 -49.0 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 m-85 -59.57 -31.2 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 11.8 pt-20 -85.39 -49.27 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.4 mtm -50.0 -56.83 9.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.35 39.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.491 ' CD1' HD13 ' A' ' 45' ' ' LEU . 89.1 m-85 -132.93 100.59 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' ASP . 90.5 m -79.59 -41.59 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.5 p30 -35.27 104.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 25' ' ' GLN . 1.7 tmm_? -89.43 -48.38 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 19.1 pt20 -55.32 -42.91 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 tp -70.83 -54.6 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.8 m-20 -35.31 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 12.5 mt -37.41 -59.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -45.35 -39.32 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ASN . 26.0 mt -77.16 -28.71 54.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 HG21 ' A' ' 41' ' ' VAL . 53.7 mt -68.45 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.1 mppt? -48.59 -28.56 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.4 tmtm? -80.29 -39.73 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.2 m-70 -99.72 30.3 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 42.72 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 63.43 48.96 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -105.1 90.35 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.4 tp -42.43 -29.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.11 -70.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 61.3 mm-40 -52.76 -53.2 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG21 HD23 ' A' ' 31' ' ' LEU . 97.7 t -43.36 -53.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.97 -53.79 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.59 -43.29 8.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 tt0 -71.19 -60.14 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 21' ' ' PHE . 13.0 mt -34.4 -63.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -39.83 -46.77 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.04 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.96 -46.94 11.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD22 HD22 ' A' ' 31' ' ' LEU . 6.5 mp -76.26 -60.03 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.919 ' CE ' HD22 ' A' ' 28' ' ' LEU . 6.3 mmm -46.22 -29.15 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.79 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 4.3 m-70 -68.64 -42.65 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.61 -37.69 85.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.77 -20.48 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -89.1 -48.42 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.518 ' HE1' ' HB3' ' A' ' 15' ' ' HIS . 3.0 mpp? -55.26 -62.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.9 31.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 45' ' ' LEU . 12.2 m-85 -137.47 119.54 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.6 m -126.73 55.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 8.0 m-20 -120.93 90.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' GLN . 5.8 mmt85 -58.23 -61.88 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 24.6 pt20 -34.01 -54.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 43.9 tp -71.39 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 83.4 m-20 -34.42 -55.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' CE ' ' A' ' 13' ' ' MET . 1.3 mm? -46.07 -61.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 28.4 mtp180 -50.32 -41.54 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' HIS . 18.8 mt -62.74 -41.17 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 13' ' ' MET . 71.8 mt -64.37 -59.38 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -66.06 -4.7 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tmtp? -108.43 -26.92 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' LEU . 70.6 m-70 -108.8 27.83 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 44.6 37.21 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 63.36 45.38 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 38' ' ' ILE . 43.6 t-20 -98.43 78.36 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -34.0 -37.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.5 mt -57.96 -71.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.6 mm-40 -48.15 -50.37 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG21 HD23 ' A' ' 31' ' ' LEU . 42.7 t -47.43 -31.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ILE . 87.8 t -80.91 -61.41 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 m -43.31 -36.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.39 -49.94 30.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 21' ' ' PHE . 26.7 mt -48.23 -60.35 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -46.4 -43.5 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -41.88 -53.13 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.16 -58.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.74 -57.09 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 12.2 mtp -38.23 -41.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.99 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ALA . 19.1 m-70 -35.29 -39.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.2 -56.33 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -51.98 -36.9 51.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' MET . 9.9 pt-20 -78.67 -38.58 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.684 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 mtm -62.5 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.19 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.8 97.97 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.7 p -95.46 48.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.41 92.02 2.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.71 -34.71 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -71.33 -19.21 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -94.54 -44.66 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -46.36 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.2 mt -39.15 -54.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.5 ttm105 -48.96 -57.92 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.829 ' CB ' HG13 ' A' ' 41' ' ' VAL . 4.3 mm? -48.05 -40.95 24.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 HG21 ' A' ' 41' ' ' VAL . 71.4 mt -63.4 -70.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -53.69 -16.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -95.85 -29.74 14.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . 92.9 m-70 -113.98 35.22 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 42.36 35.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 63.57 50.09 2.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -104.52 87.3 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.684 HD11 ' HE2' ' A' ' 19' ' ' MET . 6.1 tp -38.0 -34.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 38' ' ' ILE . 3.6 mt -59.32 -63.59 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.12 -52.04 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 ' CB ' ' A' ' 30' ' ' LEU . 88.0 t -45.08 -50.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG2' ' HE1' ' A' ' 19' ' ' MET . 37.9 t -69.22 -56.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.2 m -43.64 -47.83 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.19 -48.07 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.34 -43.65 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -72.75 -31.74 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' TYR . 84.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.74 -47.42 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.05 -59.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.9 mm? -62.5 -63.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.835 ' HE1' HD22 ' A' ' 28' ' ' LEU . 3.2 mmt -35.36 -38.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.98 -56.04 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 18.0 m-70 -46.22 -33.5 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.4 mm? -73.82 -51.14 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.49 -36.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -77.56 -26.21 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 15' ' ' HIS . 16.2 mtm -78.95 -66.32 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.14 33.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.7 109.59 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ARG . 24.4 p -86.42 -37.46 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -45.02 91.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.565 ' NH1' HD21 ' A' ' 28' ' ' LEU . 45.5 ttt-85 -77.67 -57.54 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 28.4 pt20 -41.03 -47.98 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.691 HD23 ' C ' ' A' ' 26' ' ' LEU . 4.2 tt -64.52 -55.1 22.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LEU . 84.9 m-20 -36.71 -47.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.835 HD22 ' HE1' ' A' ' 13' ' ' MET . 1.4 mm? -48.44 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 27.0 mtp85 -35.62 -47.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 12.9 mt -56.84 -46.66 81.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.788 HD23 HG21 ' A' ' 41' ' ' VAL . 65.4 mt -63.9 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -55.36 -14.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -99.98 -31.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 98.6 m-70 -111.26 30.06 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 47.06 34.54 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HG23 ' A' ' 9' ' ' THR . 38.9 m-85 63.62 48.31 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.1 m-20 -98.42 94.17 6.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 12' ' ' LEU . 10.3 tp -40.92 -28.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.77 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.4 mm100 -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.788 HG21 HD23 ' A' ' 31' ' ' LEU . 75.1 t -59.38 -46.93 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' HD13 ' A' ' 46' ' ' LEU . 30.8 t -73.94 -54.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.7 m -44.06 -46.12 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.4 tp10 -68.28 -59.5 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 27.2 mt -36.47 -52.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 42' ' ' VAL . 11.1 mp -56.89 -39.46 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.9 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.826 0.346 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.87 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.09 -69.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.2 -59.75 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.609 ' HG2' HD11 ' A' ' 31' ' ' LEU . 9.7 mtp -41.71 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . . . -34.74 -45.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -48.23 -48.08 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.677 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.5 mm? -61.9 -41.79 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.63 -34.94 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.06 -57.37 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.677 ' CE ' HD13 ' A' ' 16' ' ' LEU . 50.8 mtm -47.74 -63.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.46 32.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -127.36 98.76 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.38 51.67 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.73 85.14 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.54 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 2.2 pp0? -61.82 -53.36 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 36.0 tp -60.91 -61.48 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LEU . 87.9 m-20 -34.35 -61.01 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.1 mt -37.27 -64.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 29' ' ' ARG . 15.4 mtp-105 -43.99 -45.23 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 57.4 mt -66.04 -61.12 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 85.1 mt -37.69 -65.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -56.09 -24.78 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tmtp? -83.96 -25.76 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 80.5 m-70 -112.34 24.65 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.58 41.17 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 61.82 49.7 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -108.31 98.41 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.621 HG23 ' N ' ' A' ' 39' ' ' LEU . 5.7 tp -50.76 -52.43 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.621 ' N ' HG23 ' A' ' 38' ' ' ILE . 2.0 mm? -45.54 -50.19 13.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 11.5 mm100 -71.49 -64.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 42.9 t -35.26 -35.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' GLN . 61.3 t -81.9 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.452 HG22 ' OE1' ' A' ' 47' ' ' GLN . 50.3 m -42.06 -35.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.31 -51.56 17.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 42' ' ' VAL . 32.2 mt -45.63 -51.29 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' OE1' HG22 ' A' ' 43' ' ' THR . 20.9 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.836 0.35 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -46.15 76.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.82 -65.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.5 mm? -61.67 -56.59 18.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.8 mmt -37.17 -40.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -63.48 -63.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ALA . 2.4 m-70 -35.72 -59.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.9 mm? -47.75 -57.98 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.44 -36.57 54.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.16 -60.47 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.654 ' HE1' HD11 ' A' ' 38' ' ' ILE . 25.7 mtm -45.63 -67.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.25 34.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -119.04 100.7 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.68 33.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.59 80.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 7.6 ptt-85 -74.32 -15.81 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.44 -15.61 57.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -102.87 -56.8 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 42.4 p-10 -43.8 -37.93 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 6.9 mt -45.07 -69.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 33.0 mtm180 -44.26 -42.89 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.874 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.5 mt -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.929 HD23 HG21 ' A' ' 41' ' ' VAL . 93.9 mt -62.9 -71.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -48.1 -23.87 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 7.4 tmtm? -86.21 -36.34 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -103.3 31.67 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 t30 44.61 37.12 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 64.8 54.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -105.6 94.79 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD11 ' HE1' ' A' ' 19' ' ' MET . 2.4 tp -44.48 -45.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.4 mt -51.99 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -50.42 -51.03 50.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.929 HG21 HD23 ' A' ' 31' ' ' LEU . 22.9 t -52.05 -69.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.47 -58.33 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -46.0 -39.16 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 30' ' ' LEU . 21.8 tp10 -70.32 -60.78 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 10.5 mt -35.11 -56.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.43 -43.75 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' GLU . 77.4 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 13' ' ' MET . 23.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.832 0.349 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.06 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.1 mt -56.04 -53.51 56.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.497 ' HG3' HG22 ' A' ' 9' ' ' THR . 6.6 mmt -40.92 -34.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -87.09 -53.51 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -38.24 -45.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.754 HD13 ' HE3' ' A' ' 19' ' ' MET . 4.5 mm? -60.49 -46.83 88.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.48 -38.26 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 15' ' ' HIS . 9.4 pt-20 -83.17 -25.53 31.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.754 ' HE3' HD13 ' A' ' 16' ' ' LEU . 20.5 mtm -73.52 -65.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.42 37.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 85.0 m-85 -142.75 120.02 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.1 t -84.38 -71.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' CYS . 17.8 m-20 -35.47 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' CYS . 15.2 ptt180 -77.21 -45.15 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -42.55 -44.46 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 45' ' ' LEU . 6.4 tt -59.41 -55.07 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' LEU . 19.6 m-20 -44.32 -64.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.5 mt -34.21 -66.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -38.77 -50.97 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' HIS . 49.9 mt -64.69 -40.93 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.018 HD23 HG21 ' A' ' 41' ' ' VAL . 69.4 mt -62.11 -68.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 28' ' ' LEU . 28.4 mttm -53.64 -15.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -99.63 -26.23 14.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.64 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 49.4 m80 -117.48 40.76 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 37' ' ' ASN . 7.2 p-10 41.53 53.5 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 23.2 m-85 34.26 43.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 41' ' ' VAL . 52.4 p-10 -87.99 75.81 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 19' ' ' MET . 5.7 tp -33.9 -39.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -46.39 -64.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -67.16 -61.15 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.018 HG21 HD23 ' A' ' 31' ' ' LEU . 86.3 t -37.14 -34.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 t -83.38 -60.09 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.413 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.6 m -45.65 -37.96 6.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.19 -56.83 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 22.6 mt -42.73 -53.94 4.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 43' ' ' THR . 14.7 mt -47.72 -46.29 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -61.74 139.24 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -130.3 166.72 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.28 166.83 23.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -54.86 160.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -42.19 -45.12 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.08 -167.87 53.95 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.98 41.9 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 m -90.2 -54.18 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.37 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.04 -63.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.6 mm? -60.35 -62.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' LEU . 24.1 mtp -36.44 -40.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.43 -61.37 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' ALA . 14.5 m-70 -37.51 -53.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.4 mm? -54.03 -49.08 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -52.09 -39.42 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -74.74 -53.75 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.3 mtm -45.38 -64.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.15 115.14 17.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.01 43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -122.86 85.48 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -67.16 -41.92 85.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.81 -62.38 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' LEU . 2.0 m-20 -40.65 -62.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.7 mt -34.27 -63.46 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -43.01 -43.02 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HG22 ' A' ' 41' ' ' VAL . 19.0 mt -71.08 -50.24 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 13' ' ' MET . 86.0 mt -45.4 -50.82 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.63 28.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -134.34 -38.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -113.31 27.7 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 55.89 42.51 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 36' ' ' TYR . 4.4 m-85 56.88 36.72 28.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.4 m-20 -81.0 83.48 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 39' ' ' LEU . 7.4 tp -34.08 -40.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 38' ' ' ILE . 4.6 mm? -60.62 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -58.51 -41.03 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 30' ' ' LEU . 92.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' ILE . 95.4 t -76.82 -60.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.9 m -40.11 -41.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.56 -52.77 41.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HA ' HD12 ' A' ' 48' ' ' LEU . 18.0 mt -51.07 -47.17 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 43' ' ' THR . 25.4 mt -54.27 -36.47 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.6 -52.76 41.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 45' ' ' LEU . 13.5 mt -47.39 -61.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -78.26 133.82 37.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.05 169.5 14.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -11.18 30.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -79.77 90.86 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -118.59 -45.41 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m 58.4 42.15 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -118.15 164.64 14.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 167.52 12.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -81.68 165.97 20.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -168.45 136.01 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.76 163.25 10.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -97.02 21.5 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.4 m -56.86 -52.13 66.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.1 74.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.94 -62.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.7 mm? -61.71 -53.85 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -37.4 -34.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.73 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -40.14 -54.48 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.7 mm? -57.72 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -43.89 -31.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -72.29 -58.38 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.551 ' HE1' HD11 ' A' ' 38' ' ' ILE . 43.2 mtm -50.27 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.5 34.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.72 114.93 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -103.16 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.8 m-20 -111.45 81.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -73.45 -45.82 52.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -58.65 -36.87 74.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 37.5 tp -79.8 -60.93 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 93.3 m-20 -34.43 -60.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 6.0 mt -35.75 -60.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -44.26 -45.45 8.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 mt -69.47 -40.51 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.149 HD23 HG21 ' A' ' 41' ' ' VAL . 89.3 mt -60.82 -64.79 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -49.89 -25.49 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 7.6 tmtm? -87.69 -33.0 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.6 m-70 -105.42 32.81 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 40.24 42.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 56.8 50.49 12.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ILE . 17.1 m-20 -102.94 84.73 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.551 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.9 tp -34.06 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.1 mm? -59.89 -66.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.91 -51.74 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.149 HG21 HD23 ' A' ' 31' ' ' LEU . 92.4 t -51.01 -58.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 38' ' ' ILE . 42.3 t -54.48 -64.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.8 m -40.24 -37.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG3' HD11 ' A' ' 48' ' ' LEU . 5.3 tp10 -70.13 -54.44 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 48' ' ' LEU . 21.7 mt -47.66 -54.28 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -45.09 -52.01 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -29.39 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 45' ' ' LEU . 5.1 mt -88.55 48.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -163.15 128.1 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.98 77.25 0.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -25.79 28.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 p -66.69 -49.17 66.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -84.2 100.6 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -71.86 139.61 48.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -76.34 105.85 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.7 -65.33 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -85.92 112.84 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.41 170.65 47.87 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.13 64.23 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m -95.26 -62.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.62 -60.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.54 -47.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD12 HD22 ' A' ' 31' ' ' LEU . 4.2 mt -74.38 -56.71 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 5.9 mmt -35.58 -46.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -72.29 -53.5 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.3 m-70 -34.57 -38.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 38' ' ' ILE . 4.2 mm? -73.09 -52.54 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.53 -24.0 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 12.4 pt-20 -93.75 -22.56 18.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 mtm -80.03 -28.5 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.14 24.56 2.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -122.9 105.0 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 m -92.04 30.58 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.96 84.54 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 25' ' ' GLN . 51.4 ttt-85 -66.28 -62.48 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' ARG . 17.4 pt20 -36.42 -45.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.9 mt -65.22 -64.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 74.1 m-20 -34.63 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 10.9 mt -37.2 -61.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -47.4 -42.44 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.7 mt -69.1 -63.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 41' ' ' VAL . 45.9 mt -34.65 -64.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -42.74 -38.48 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.7 tmtm? -76.37 -40.63 50.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 95.9 m-70 -95.24 33.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.7 m-20 37.94 37.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 63.83 53.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 35.9 m-20 -110.77 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.3 tp -34.01 -40.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 38' ' ' ILE . 5.4 mp -55.41 -71.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 37.8 mm-40 -50.87 -54.2 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.986 HG21 HD23 ' A' ' 31' ' ' LEU . 84.3 t -45.95 -63.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.39 -64.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.8 m -39.5 -36.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.37 -56.26 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' A' ' 48' ' ' LEU . 25.3 mt -40.97 -56.39 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.77 -39.21 65.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.28 -52.07 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 45' ' ' LEU . 19.2 mt -48.89 -45.12 40.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 m -95.16 174.84 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.47 146.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -4.87 14.87 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.9 p -41.23 113.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -113.63 95.64 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -115.82 107.28 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -169.4 157.49 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.22 -73.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -95.66 134.22 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -45.28 -57.92 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.69 89.32 2.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.479 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 38.1 tt0 -51.45 -47.84 62.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -41.19 -54.5 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.39 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 8' ' ' GLN . . . -45.08 -60.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.2 mm? -60.66 -56.05 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.9 mmt -34.52 -43.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -52.38 -68.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.0 m-70 -34.51 -41.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.2 mm? -67.15 -59.16 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -49.79 -39.76 39.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 19' ' ' MET . 11.9 pt-20 -75.71 -43.77 45.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.463 ' HE1' HD13 ' A' ' 16' ' ' LEU . 37.9 mtm -58.73 -66.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.7 38.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -146.94 116.59 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.355 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 87.3 m -98.71 -49.91 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.1 m-20 -34.45 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -71.05 -28.82 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 26' ' ' LEU . 15.9 pt20 -56.32 -44.6 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.6 mm? -71.32 -62.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.1 m-20 -34.41 -63.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.6 mt -43.5 -59.33 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LEU . 13.5 mmt85 -37.2 -49.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.918 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.6 mm? -72.79 -44.03 62.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 41' ' ' VAL . 86.9 mt -55.13 -33.29 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HE2' HD22 ' A' ' 28' ' ' LEU . 40.9 mttm -94.97 0.44 54.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 8.3 tmtt? -103.94 -58.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 81.3 m-70 -84.12 19.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.78 43.42 9.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.4 m-85 61.6 41.61 12.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.6 m-20 -96.05 82.37 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.504 HG23 HD23 ' A' ' 39' ' ' LEU . 8.3 tp -34.98 -37.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -55.59 -61.16 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.589 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 60.9 mm-40 -61.22 -50.6 72.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.918 HG22 ' HB3' ' A' ' 30' ' ' LEU . 58.5 t -47.33 -45.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.68 -64.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -41.91 -39.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' HG3' HD11 ' A' ' 48' ' ' LEU . 3.6 tp10 -71.67 -51.76 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' HA ' HD12 ' A' ' 48' ' ' LEU . 16.8 mt -46.37 -60.86 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.8 mt -44.91 -41.84 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.07 -47.31 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 45' ' ' LEU . 14.3 mt -59.66 -42.12 92.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -62.41 -47.95 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.2 -90.78 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -116.89 116.6 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.1 p -142.29 123.53 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -124.88 162.24 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -82.79 43.54 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.73 82.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.539 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -64.59 114.55 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -63.14 114.74 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' THR . . . 171.7 50.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' O ' ' CD2' ' A' ' 36' ' ' TYR . 13.3 pt20 -55.06 85.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' GLY . 18.4 m -112.53 -74.67 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.53 -39.31 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.88 78.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.3 mm? -74.24 -46.69 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -50.12 -37.66 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -62.82 -56.59 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.2 m-70 -36.05 -35.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.6 mm? -72.81 -54.74 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -55.2 -37.02 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.9 pt-20 -77.36 -34.66 55.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtm -70.63 -68.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.87 39.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -142.25 105.37 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' ASP . 84.9 m -76.04 -33.6 59.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.5 m-20 -34.65 105.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.31 -70.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -44.4 -49.23 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.3 tp -47.54 -55.58 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' LEU . 63.1 m-20 -35.18 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' ASN . 20.5 mt -36.27 -65.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -39.25 -40.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -75.89 -51.15 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 41' ' ' VAL . 44.0 mt -50.19 -52.95 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -64.5 -6.16 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.2 tmtm? -102.95 -38.03 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 40' ' ' GLN . 76.0 m-70 -106.51 35.73 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 37.76 49.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.507 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 65.1 m-85 49.76 51.64 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.458 HD22 HD13 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -106.32 85.76 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 tp -39.74 -35.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 37' ' ' ASN . 5.1 mp -59.01 -44.4 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.531 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 31.1 mt-30 -79.87 -63.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.724 HG21 HD23 ' A' ' 31' ' ' LEU . 84.4 t -36.22 -39.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.52 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -43.52 -36.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -72.53 -41.32 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.33 -30.31 69.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.97 -7.41 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -87.13 -39.26 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.5 mt -64.36 -47.68 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.8 m -36.84 -49.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.35 147.62 21.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.88 51.78 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' SER . 43.2 t -72.03 -46.35 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' SER . 97.3 p 34.4 46.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -88.11 108.12 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -88.56 166.79 13.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.47 -128.9 2.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t 67.32 42.32 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -83.63 141.55 31.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.72 -163.13 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 56.37 40.69 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 m -84.63 -49.71 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.55 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.08 -52.56 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.768 HD22 HD22 ' A' ' 31' ' ' LEU . 6.1 mp -74.63 -54.88 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.9 mmt -38.96 -25.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -84.11 -52.52 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.34 -56.3 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 38' ' ' ILE . 10.8 mt -57.89 -47.64 82.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 13' ' ' MET . 5.5 m-85 -55.71 -18.28 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -99.85 -24.19 14.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 mtt -76.46 -14.96 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.97 -10.06 8.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -87.96 109.54 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.8 p -87.92 -43.61 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.28 123.83 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' GLN . 46.2 ttt180 -93.92 -70.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 14.6 pt20 -34.64 -52.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -52.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' LEU . 75.6 m-20 -37.16 -59.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.7 mt -34.61 -59.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -44.65 -64.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.74 ' CB ' HG13 ' A' ' 41' ' ' VAL . 3.7 mm? -43.67 -44.16 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.109 HD23 HG21 ' A' ' 41' ' ' VAL . 66.2 mt -59.72 -68.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.64 -16.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -94.32 -32.25 13.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.444 ' CE1' ' CD ' ' A' ' 33' ' ' LYS . 94.8 m-70 -108.96 34.34 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 44.18 39.94 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' HD21 ' A' ' 12' ' ' LEU . 90.0 m-85 60.12 50.09 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 30.7 m-20 -103.66 79.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 16' ' ' LEU . 6.0 tp -34.17 -41.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.2 mp -52.63 -51.0 62.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 8.5 mt-30 -70.18 -54.28 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.109 HG21 HD23 ' A' ' 31' ' ' LEU . 41.3 t -46.85 -43.81 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 38' ' ' ILE . 86.6 t -68.03 -58.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.8 m -48.36 -43.15 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.819 ' OE2' HD11 ' A' ' 48' ' ' LEU . 3.6 tm-20 -66.16 -43.65 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 48' ' ' LEU . 16.0 mt -55.44 -59.05 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -56.91 -32.03 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -62.29 -48.97 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.819 HD11 ' OE2' ' A' ' 44' ' ' GLU . 5.3 mt -57.02 -45.21 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.3 t -71.68 110.4 6.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.25 157.86 9.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.37 25.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 m -82.77 153.24 25.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 m -106.45 -48.41 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -168.14 159.15 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -49.52 148.0 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.4 -151.65 7.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.0 m -80.03 83.55 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.896 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 57.9 m -36.87 151.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.17 -114.09 3.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' THR . 1.2 tp-100 -52.45 -40.12 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLN . 86.7 m -35.3 -62.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -50.44 -58.39 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.96 -31.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 36' ' ' TYR . 6.1 mt -90.87 -57.61 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 18.3 mtp -44.46 -38.44 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 17' ' ' PHE . . . -60.6 -62.87 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -39.44 -44.75 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 45' ' ' LEU . 13.6 mt -67.24 -38.94 86.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' CYS . 10.3 m-85 -64.22 -23.95 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.23 -50.02 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mtm -49.45 -56.51 9.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 159.07 34.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 83.5 m-85 -137.46 109.88 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 9.8 m -93.72 -34.13 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.3 p30 -36.38 96.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' CYS . 29.0 ttt85 -71.94 -67.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -38.55 -45.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 26' ' ' LEU . 6.1 tt -60.8 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 45.8 m-20 -41.4 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 13.0 mt -38.91 -59.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -44.57 -49.34 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 41' ' ' VAL . 12.5 mt -63.4 -63.61 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.078 HD23 HG21 ' A' ' 41' ' ' VAL . 41.0 mt -36.15 -64.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -44.33 -35.47 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CE1' ' A' ' 34' ' ' HIS . 1.7 tmtp? -79.33 -37.17 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 84.9 m-70 -99.02 33.22 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 39.38 36.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.489 ' HB3' HD11 ' A' ' 12' ' ' LEU . 86.7 m-85 64.13 50.71 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 8.1 m-20 -107.67 81.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.0 tp -33.95 -33.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.5 mp -55.96 -64.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 42.0 mm-40 -60.48 -45.64 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.078 HG21 HD23 ' A' ' 31' ' ' LEU . 63.8 t -54.44 -37.86 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 38' ' ' ILE . 38.4 t -75.01 -55.99 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -50.02 -44.54 51.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.445 ' HG2' HD11 ' A' ' 48' ' ' LEU . 13.6 tt0 -63.89 -49.77 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' A' ' 16' ' ' LEU . 20.2 mt -48.71 -59.05 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 mt -43.85 -39.8 4.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -72.04 -60.65 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' A' ' 44' ' ' GLU . 25.9 mt -39.99 -53.35 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -90.16 112.09 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.81 -174.45 21.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.18 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -64.61 164.46 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.0 p 41.18 42.19 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t 63.13 42.9 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.404 . . . . 0.0 110.889 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -68.14 -52.65 32.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.84 85.98 0.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -38.43 131.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -91.46 163.21 14.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.34 -122.5 5.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.23 -51.05 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.8 m -45.55 -43.98 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.94 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.71 -56.47 13.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.9 -58.59 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.7 mmt -34.67 -61.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.11 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -40.18 -50.89 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.95 -40.03 91.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 22' ' ' CYS . 22.5 m-85 -72.83 -3.68 27.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.34 5.3 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.1 ptp -125.42 -25.41 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.62 -18.7 3.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -88.49 121.54 30.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 25.8 p -114.18 -24.02 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 m-20 -36.17 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' CYS . 63.3 ttt180 -65.13 -72.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.65 -48.87 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -54.41 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' LEU . 65.5 m-20 -39.84 -54.73 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.7 mt -37.06 -54.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -50.71 -45.72 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 41' ' ' VAL . 3.7 mm? -66.35 -43.44 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.904 HD23 HG21 ' A' ' 41' ' ' VAL . 49.6 mt -61.74 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.779 ' HE2' HD22 ' A' ' 28' ' ' LEU . 37.2 mttm -56.1 -14.62 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.81 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 74.1 m-70 -115.64 37.89 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 39.19 36.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 66.16 55.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 t-20 -105.92 104.53 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 39' ' ' LEU . 6.8 tp -51.06 -52.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.609 ' N ' HG23 ' A' ' 38' ' ' ILE . 5.5 mp -48.67 -59.15 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 12.5 mm100 -57.77 -59.01 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.904 HG21 HD23 ' A' ' 31' ' ' LEU . 60.2 t -43.43 -59.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 96.2 t -56.94 -53.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.3 m -45.77 -46.27 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.86 -54.54 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 42' ' ' VAL . 9.1 mt -37.69 -54.38 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.98 -36.77 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . 36.5 mm-40 -71.2 -50.97 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -49.64 -48.08 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 m -39.14 111.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.48 -167.76 39.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.73 6.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.7 m 46.93 42.12 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -87.17 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -91.45 120.86 32.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -60.45 137.9 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.96 50.66 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -137.79 113.99 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -51.38 138.75 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.78 -83.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.467 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.6 tp-100 -109.37 77.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 76.9 m -101.12 -73.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -37.81 -49.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 8' ' ' GLN . . . -34.76 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.1 mm? -77.93 -62.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.929 ' CE ' HD22 ' A' ' 28' ' ' LEU . 3.0 mmt -38.05 -44.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -55.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.57 ' HB2' HD13 ' A' ' 38' ' ' ILE . 72.1 m-70 -34.28 -58.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 41' ' ' VAL . 10.4 mt -53.5 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -41.91 -29.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.0 -51.07 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.523 ' CE ' HD11 ' A' ' 38' ' ' ILE . 33.7 mtm -51.28 -62.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.3 32.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -126.35 95.93 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.1 m -100.21 45.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -115.51 86.58 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' GLN . 10.9 mtt-85 -59.01 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.591 ' HG3' HD23 ' A' ' 26' ' ' LEU . 8.4 pt20 -34.11 -45.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.4 mm? -74.23 -63.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 82.1 m-20 -37.46 -45.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' CE ' ' A' ' 13' ' ' MET . 2.8 mm? -51.83 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -42.98 -33.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' A' ' 41' ' ' VAL . 20.6 mt -70.15 -38.41 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 41' ' ' VAL . 34.6 mt -67.53 -56.84 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.53 -4.81 9.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -109.36 -29.43 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -109.42 33.34 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 44.08 32.73 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 9' ' ' THR . 75.6 m-85 61.77 52.46 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ILE . 13.7 m-20 -109.92 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.5 tp -37.06 -33.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -58.82 -74.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.72 -45.93 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 31' ' ' LEU . 48.0 t -50.73 -51.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 16' ' ' LEU . 32.2 t -69.21 -60.12 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.74 -43.61 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -56.18 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 32.2 mt -40.7 -61.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -39.19 -36.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -78.26 -43.85 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.24 -46.98 84.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 t -53.49 122.72 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.73 83.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -95.99 -48.61 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -76.38 122.91 25.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.6 m -37.14 -46.47 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -90.02 -45.88 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.71 123.16 1.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -102.82 102.75 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -154.85 124.38 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.86 -171.64 31.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -91.34 44.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -101.1 -50.22 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -55.16 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -36.17 -34.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' ALA . 12.5 mt -82.03 -48.65 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.461 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.5 mmt -43.21 -28.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -85.21 -52.0 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.456 ' CB ' HD13 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -34.45 -44.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.8 mm? -68.32 -71.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -39.17 -37.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -68.12 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.444 ' CE ' HD13 ' A' ' 16' ' ' LEU . 56.2 mtm -44.14 -64.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.87 31.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.9 m-85 -123.02 104.97 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.1 m -90.66 48.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -114.99 127.23 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -97.66 -61.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 7.3 pm0 -68.38 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -64.34 -69.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.4 m120 -34.19 -60.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' HE3' ' A' ' 32' ' ' LYS . 9.2 mt -36.5 -49.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -53.13 -46.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' CB ' HG13 ' A' ' 41' ' ' VAL . 23.1 mt -68.79 -43.39 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 41' ' ' VAL . 60.7 mt -61.66 -63.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' HD22 ' A' ' 28' ' ' LEU . 77.3 mttt -52.47 -17.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 4.1 tmtm? -96.31 -32.73 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 39.0 m80 -103.91 33.33 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 43.88 35.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' HD11 ' A' ' 12' ' ' LEU . 83.6 m-85 64.84 51.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -108.71 91.17 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.1 tp -41.15 -29.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 38' ' ' ILE . 3.8 mt -61.92 -73.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.573 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 88.1 mm-40 -49.22 -51.27 34.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.974 HG21 HD23 ' A' ' 31' ' ' LEU . 96.0 t -45.96 -39.79 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 38' ' ' ILE . 70.7 t -77.35 -57.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' VAL . 100.0 m -35.51 -46.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 11.7 tt0 -68.87 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.778 ' HA ' HD12 ' A' ' 48' ' ' LEU . 16.9 mt -38.62 -38.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.87 -40.19 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLU . 46.8 mt-30 -63.77 -46.36 85.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 45' ' ' LEU . 12.3 mt -44.05 -53.91 5.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.4 t -91.0 149.35 21.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.05 173.06 39.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -22.28 32.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.12 78.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.4 p -64.82 128.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -125.52 -52.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -96.8 106.55 18.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.57 -78.4 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.9 161.9 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -85.93 140.68 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.41 -154.03 8.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -101.58 42.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.5 m -81.78 -52.02 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.46 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.01 -59.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.5 mp -58.04 -52.72 64.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.513 ' HE1' ' OD1' ' A' ' 27' ' ' ASN . 2.9 mtt -36.75 -41.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.95 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.47 ' O ' ' HE2' ' A' ' 19' ' ' MET . 6.6 m-70 -40.16 -31.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -76.89 -48.28 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' CYS . 10.6 m-85 -59.9 -27.98 67.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.2 pt-20 -86.81 -36.72 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 38' ' ' ILE . 35.5 mtm -67.89 -50.85 53.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 156.74 35.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 31.0 m-85 -151.33 110.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 29.7 p -110.21 45.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.21 83.64 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -77.29 -12.53 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD21 HD11 ' A' ' 48' ' ' LEU . 53.3 tp -106.55 -56.78 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' HE1' ' A' ' 13' ' ' MET . 44.1 p30 -44.73 -35.54 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.5 mt -44.04 -62.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 24.2 mtp180 -52.07 -34.61 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.675 ' CB ' HG13 ' A' ' 41' ' ' VAL . 75.7 mt -74.06 -32.33 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD23 HG21 ' A' ' 41' ' ' VAL . 90.9 mt -75.73 -45.01 38.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -79.95 -4.89 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 3.9 tmtm? -106.67 -47.21 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 92.9 m-70 -90.31 27.87 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.49 32.66 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 66.46 47.67 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ILE . 2.6 m-20 -99.87 85.59 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.3 tp -34.03 -36.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.1 mp -66.19 -61.12 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 69.0 mt-30 -56.84 -44.96 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.675 HG13 ' CB ' ' A' ' 30' ' ' LEU . 91.6 t -55.71 -64.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' HA ' HD23 ' A' ' 45' ' ' LEU . 60.9 t -47.8 -58.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 97.5 m -34.2 -38.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.8 tp10 -71.47 -54.99 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 mm? -39.78 -40.61 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 mp -70.77 -35.67 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' GLU . 88.0 mm-40 -55.97 -48.24 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD11 HD21 ' A' ' 26' ' ' LEU . 20.7 mt -48.71 -41.46 31.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -100.44 171.17 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.69 173.02 13.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.65 20.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 t -100.72 138.77 37.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.6 m -120.22 128.66 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -38.54 136.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -96.86 -39.94 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.27 -53.94 17.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -53.59 -51.74 62.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -43.45 126.03 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.1 178.69 31.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -106.58 41.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 m -58.97 -61.05 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.81 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.52 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -55.85 -45.95 78.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -42.15 -24.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -89.7 -51.44 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CB ' HD13 ' A' ' 38' ' ' ILE . 1.4 m-70 -40.75 -44.99 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.61 -59.49 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -49.21 -32.71 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.94 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 38' ' ' ILE . 31.0 mtm -48.52 -57.0 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.78 36.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -125.34 91.34 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 m -70.47 -37.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.1 p-10 -39.07 110.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 25' ' ' GLN . 2.1 tmt_? -94.4 -51.46 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -52.26 -32.8 38.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 45' ' ' LEU . 4.1 tt -75.9 -56.02 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 28' ' ' LEU . 90.7 m-20 -42.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.0 mt -35.35 -62.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.66 -44.53 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 39.3 mt -70.6 -58.79 3.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 70.9 mt -35.67 -63.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.3 mptp? -47.86 -34.92 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.0 tmtm? -77.26 -36.09 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 68.5 m-70 -103.46 33.06 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 p-10 37.37 35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 65.82 55.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -107.77 92.72 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.3 tp -48.04 -26.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 38' ' ' ILE . 3.4 mm? -68.92 -49.67 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.5 mm100 -78.04 -55.37 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 97.0 t -45.37 -30.35 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 38' ' ' ILE . 32.0 t -80.1 -69.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -40.97 -32.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' OE1' HD11 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -74.78 -42.2 58.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 26' ' ' LEU . 22.3 mt -57.55 -35.15 69.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.95 -17.44 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -83.04 -39.15 21.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.419 HD11 ' OE1' ' A' ' 44' ' ' GLU . 48.3 mt -61.25 -50.14 74.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -67.44 102.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.6 76.49 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -16.16 37.53 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.9 m -81.71 152.01 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -140.39 127.25 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -119.09 -46.16 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -100.11 113.11 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.61 132.6 5.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -70.38 134.12 47.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -54.77 156.67 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.32 169.9 12.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -82.93 84.95 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.4 m -92.38 -56.04 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -64.79 -58.29 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.21 -40.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD1' HD22 ' A' ' 31' ' ' LEU . 12.7 mt -78.56 -54.84 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE1' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -34.34 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -79.22 -51.5 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' C ' ' HG2' ' A' ' 18' ' ' GLU . 2.0 t-80 -37.56 -36.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -78.36 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -48.55 -25.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 6.2 pt-20 -85.56 -26.95 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HD13 ' A' ' 16' ' ' LEU . 39.3 mtm -80.17 -71.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.04 28.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.31 109.78 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.45 51.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.79 88.71 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' GLN . 7.9 ttt180 -60.8 -57.05 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 30.0 pt20 -36.48 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 HD21 ' A' ' 45' ' ' LEU . 3.3 tt -79.37 -58.86 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 66.6 m-20 -36.92 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HE2' ' A' ' 32' ' ' LYS . 11.1 mt -50.55 -61.06 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -43.16 -38.19 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' OE1' ' A' ' 44' ' ' GLU . 19.5 mt -73.23 -58.21 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.028 HD23 HG21 ' A' ' 41' ' ' VAL . 89.5 mt -45.09 -55.79 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.9 mptp? -54.53 -22.88 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 8.0 tmtt? -89.98 -37.62 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 89.6 m-70 -96.53 30.47 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 40.45 41.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 64.36 54.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -112.78 98.29 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 tp -48.33 -48.34 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.6 mm? -48.11 -69.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 43' ' ' THR . 28.3 mt-30 -53.34 -57.5 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.028 HG21 HD23 ' A' ' 31' ' ' LEU . 25.4 t -42.06 -40.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' ILE . 88.6 t -79.61 -69.93 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 40' ' ' GLN . 1.4 t -38.15 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' A' ' 30' ' ' LEU . 4.7 tm-20 -76.76 -47.11 22.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 HD22 ' A' ' 26' ' ' LEU . 19.5 mt -56.69 -27.3 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.27 -19.46 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.15 -37.76 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.32 -51.07 63.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -121.24 116.4 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 83.27 1.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.33 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -174.63 152.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -71.5 -7.89 50.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -95.62 149.91 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -56.56 -48.4 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.58 137.6 2.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -78.35 88.31 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -157.83 157.57 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.13 83.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -95.28 40.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -80.43 -53.94 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.15 -46.17 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.02 -60.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.7 mm? -62.94 -63.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.514 ' HE3' ' HG ' ' A' ' 28' ' ' LEU . 3.4 mmt -34.56 -37.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -65.97 -73.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HB2' HD13 ' A' ' 38' ' ' ILE . 21.0 m-70 -34.47 -36.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 8.5 mt -76.73 -49.0 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 m-85 -59.57 -31.2 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 11.8 pt-20 -85.39 -49.27 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.4 mtm -50.0 -56.83 9.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.35 39.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.491 ' CD1' HD13 ' A' ' 45' ' ' LEU . 89.1 m-85 -132.93 100.59 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' ASP . 90.5 m -79.59 -41.59 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.5 p30 -35.27 104.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 25' ' ' GLN . 1.7 tmm_? -89.43 -48.38 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 19.1 pt20 -55.32 -42.91 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 tp -70.83 -54.6 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.8 m-20 -35.31 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 12.5 mt -37.41 -59.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -45.35 -39.32 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ASN . 26.0 mt -77.16 -28.71 54.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 HG21 ' A' ' 41' ' ' VAL . 53.7 mt -68.45 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.1 mppt? -48.59 -28.56 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.4 tmtm? -80.29 -39.73 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.2 m-70 -99.72 30.3 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 42.72 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 63.43 48.96 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -105.1 90.35 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.4 tp -42.43 -29.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.11 -70.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 61.3 mm-40 -52.76 -53.2 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG21 HD23 ' A' ' 31' ' ' LEU . 97.7 t -43.36 -53.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.97 -53.79 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.59 -43.29 8.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 tt0 -71.19 -60.14 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 48' ' ' LEU . 13.0 mt -34.4 -63.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -39.83 -46.77 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 31.6 mt-30 -64.14 -54.07 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 45' ' ' LEU . 48.4 mt -37.47 -59.15 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -109.6 94.4 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.68 146.21 18.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.05 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.214 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -143.38 135.42 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -79.23 135.14 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -85.69 92.53 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -142.85 126.1 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.32 -126.67 2.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -174.75 165.81 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -43.24 113.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.76 129.06 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' THR . 79.9 mt-30 -99.26 -58.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 3.9 m -35.25 -58.46 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.04 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.96 -46.94 11.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD22 HD22 ' A' ' 31' ' ' LEU . 6.5 mp -76.26 -60.03 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.919 ' CE ' HD22 ' A' ' 28' ' ' LEU . 6.3 mmm -46.22 -29.15 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.79 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 4.3 m-70 -68.64 -42.65 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.61 -37.69 85.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.77 -20.48 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -89.1 -48.42 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.518 ' HE1' ' HB3' ' A' ' 15' ' ' HIS . 3.0 mpp? -55.26 -62.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.9 31.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 45' ' ' LEU . 12.2 m-85 -137.47 119.54 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.6 m -126.73 55.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 8.0 m-20 -120.93 90.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' GLN . 5.8 mmt85 -58.23 -61.88 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 24.6 pt20 -34.01 -54.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD21 HD13 ' A' ' 48' ' ' LEU . 43.9 tp -71.39 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 83.4 m-20 -34.42 -55.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' CE ' ' A' ' 13' ' ' MET . 1.3 mm? -46.07 -61.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 28.4 mtp180 -50.32 -41.54 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' HIS . 18.8 mt -62.74 -41.17 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 13' ' ' MET . 71.8 mt -64.37 -59.38 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -66.06 -4.7 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tmtp? -108.43 -26.92 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' LEU . 70.6 m-70 -108.8 27.83 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 44.6 37.21 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 63.36 45.38 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 38' ' ' ILE . 43.6 t-20 -98.43 78.36 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -34.0 -37.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.5 mt -57.96 -71.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.6 mm-40 -48.15 -50.37 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG21 HD23 ' A' ' 31' ' ' LEU . 42.7 t -47.43 -31.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ILE . 87.8 t -80.91 -61.41 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 m -43.31 -36.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' A' ' 48' ' ' LEU . 14.2 tt0 -72.39 -49.94 30.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 21' ' ' PHE . 26.7 mt -48.23 -60.35 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -46.4 -43.5 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.79 -53.74 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 45' ' ' LEU . 9.7 mt -48.85 -44.83 40.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -67.8 -58.49 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.91 148.4 6.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 83.97 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.5 m -94.81 98.83 11.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 42.17 46.32 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -105.83 99.43 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -74.08 -57.11 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.34 106.13 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -148.02 162.17 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 t -66.37 147.8 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.35 -85.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 69.74 35.14 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.952 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.3 m -71.51 -53.68 13.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -41.88 -53.13 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.16 -58.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.74 -57.09 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 12.2 mtp -38.23 -41.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.99 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ALA . 19.1 m-70 -35.29 -39.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.2 -56.33 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -51.98 -36.9 51.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' MET . 9.9 pt-20 -78.67 -38.58 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.684 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 mtm -62.5 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.19 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.8 97.97 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.7 p -95.46 48.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.41 92.02 2.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.71 -34.71 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -71.33 -19.21 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -94.54 -44.66 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -46.36 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.2 mt -39.15 -54.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.5 ttm105 -48.96 -57.92 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.829 ' CB ' HG13 ' A' ' 41' ' ' VAL . 4.3 mm? -48.05 -40.95 24.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 HG21 ' A' ' 41' ' ' VAL . 71.4 mt -63.4 -70.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -53.69 -16.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -95.85 -29.74 14.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . 92.9 m-70 -113.98 35.22 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 42.36 35.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 63.57 50.09 2.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -104.52 87.3 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD11 ' HE2' ' A' ' 19' ' ' MET . 6.1 tp -38.0 -34.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 38' ' ' ILE . 3.6 mt -59.32 -63.59 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.12 -52.04 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 ' CB ' ' A' ' 30' ' ' LEU . 88.0 t -45.08 -50.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG2' ' HE1' ' A' ' 19' ' ' MET . 37.9 t -69.22 -56.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.2 m -43.64 -47.83 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.19 -48.07 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.34 -43.65 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -72.75 -31.74 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.17 -44.73 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.33 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -72.89 138.72 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.15 -93.55 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.78 2.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.24 . . . . 0.0 112.379 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -120.99 107.0 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -53.0 118.75 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.519 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -82.26 -60.94 2.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -103.83 121.83 43.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.96 -107.77 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -82.21 -55.24 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -66.76 -45.83 77.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.13 123.83 24.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -73.22 79.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' TYR . 84.9 m -107.73 -58.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.74 -47.42 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.05 -59.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.9 mm? -62.5 -63.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.835 ' HE1' HD22 ' A' ' 28' ' ' LEU . 3.2 mmt -35.36 -38.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.98 -56.04 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 18.0 m-70 -46.22 -33.5 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.4 mm? -73.82 -51.14 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.49 -36.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -77.56 -26.21 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 15' ' ' HIS . 16.2 mtm -78.95 -66.32 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.14 33.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.7 109.59 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ARG . 24.4 p -86.42 -37.46 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -45.02 91.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.565 ' NH1' HD21 ' A' ' 28' ' ' LEU . 45.5 ttt-85 -77.67 -57.54 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 28.4 pt20 -41.03 -47.98 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.691 HD23 ' C ' ' A' ' 26' ' ' LEU . 4.2 tt -64.52 -55.1 22.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LEU . 84.9 m-20 -36.71 -47.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.835 HD22 ' HE1' ' A' ' 13' ' ' MET . 1.4 mm? -48.44 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 27.0 mtp85 -35.62 -47.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 12.9 mt -56.84 -46.66 81.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.788 HD23 HG21 ' A' ' 41' ' ' VAL . 65.4 mt -63.9 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -55.36 -14.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -99.98 -31.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 98.6 m-70 -111.26 30.06 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 47.06 34.54 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HG23 ' A' ' 9' ' ' THR . 38.9 m-85 63.62 48.31 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.1 m-20 -98.42 94.17 6.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 12' ' ' LEU . 10.3 tp -40.92 -28.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.77 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.4 mm100 -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.788 HG21 HD23 ' A' ' 31' ' ' LEU . 75.1 t -59.38 -46.93 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' HD13 ' A' ' 46' ' ' LEU . 30.8 t -73.94 -54.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.7 m -44.06 -46.12 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.4 tp10 -68.28 -59.5 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 27.2 mt -36.47 -52.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 42' ' ' VAL . 11.1 mp -56.89 -39.46 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.9 mt-30 -67.79 -54.18 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.6 mt -46.35 -53.83 10.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.0 t -120.55 111.06 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.83 -159.38 21.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.03 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.322 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -97.4 135.27 39.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 p -108.8 42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -109.28 80.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -67.95 125.47 26.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.83 123.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -76.8 116.74 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -120.09 124.33 45.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.33 164.18 22.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.55 37.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.391 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m -44.9 -69.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.87 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.09 -69.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.2 -59.75 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.609 ' HG2' HD11 ' A' ' 31' ' ' LEU . 9.7 mtp -41.71 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . . . -34.74 -45.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -48.23 -48.08 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.677 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.5 mm? -61.9 -41.79 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.63 -34.94 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.06 -57.37 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.677 ' CE ' HD13 ' A' ' 16' ' ' LEU . 50.8 mtm -47.74 -63.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.46 32.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -127.36 98.76 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.38 51.67 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.73 85.14 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.54 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 2.2 pp0? -61.82 -53.36 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 36.0 tp -60.91 -61.48 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LEU . 87.9 m-20 -34.35 -61.01 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.1 mt -37.27 -64.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 15.4 mtp-105 -43.99 -45.23 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 57.4 mt -66.04 -61.12 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 85.1 mt -37.69 -65.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -56.09 -24.78 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tmtp? -83.96 -25.76 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 80.5 m-70 -112.34 24.65 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.58 41.17 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 61.82 49.7 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -108.31 98.41 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.621 HG23 ' N ' ' A' ' 39' ' ' LEU . 5.7 tp -50.76 -52.43 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.621 ' N ' HG23 ' A' ' 38' ' ' ILE . 2.0 mm? -45.54 -50.19 13.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 11.5 mm100 -71.49 -64.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 42.9 t -35.26 -35.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' GLN . 61.3 t -81.9 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.452 HG22 ' OE1' ' A' ' 47' ' ' GLN . 50.3 m -42.06 -35.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.31 -51.56 17.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 48' ' ' LEU . 32.2 mt -45.63 -51.29 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' OE1' HG22 ' A' ' 43' ' ' THR . 20.9 mt-30 -64.92 -46.56 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 45' ' ' LEU . 10.9 mt -60.64 -56.28 23.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -158.3 140.57 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.55 -158.18 30.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.68 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -63.58 176.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 p -121.13 160.44 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -69.07 170.78 9.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -100.77 132.12 46.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.89 -100.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -128.44 139.67 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -154.08 123.11 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.49 -148.68 16.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -121.19 40.3 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -68.77 -45.31 71.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -46.15 76.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.82 -65.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.5 mm? -61.67 -56.59 18.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.8 mmt -37.17 -40.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -63.48 -63.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ALA . 2.4 m-70 -35.72 -59.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.9 mm? -47.75 -57.98 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.44 -36.57 54.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.16 -60.47 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.654 ' HE1' HD11 ' A' ' 38' ' ' ILE . 25.7 mtm -45.63 -67.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.25 34.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -119.04 100.7 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.68 33.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.59 80.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 7.6 ptt-85 -74.32 -15.81 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.44 -15.61 57.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -102.87 -56.8 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 42.4 p-10 -43.8 -37.93 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 6.9 mt -45.07 -69.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 33.0 mtm180 -44.26 -42.89 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.874 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.5 mt -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.929 HD23 HG21 ' A' ' 41' ' ' VAL . 93.9 mt -62.9 -71.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -48.1 -23.87 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 7.4 tmtm? -86.21 -36.34 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -103.3 31.67 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 t30 44.61 37.12 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 64.8 54.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -105.6 94.79 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD11 ' HE1' ' A' ' 19' ' ' MET . 2.4 tp -44.48 -45.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.4 mt -51.99 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -50.42 -51.03 50.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.929 HG21 HD23 ' A' ' 31' ' ' LEU . 22.9 t -52.05 -69.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.47 -58.33 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -46.0 -39.16 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 30' ' ' LEU . 21.8 tp10 -70.32 -60.78 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 10.5 mt -35.11 -56.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.43 -43.75 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 77.4 mm-40 -55.94 -55.38 33.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' H ' ' CD2' ' A' ' 48' ' ' LEU . 3.7 mm? -36.23 -53.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 t -39.35 -57.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.75 176.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 103.89 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -141.07 137.6 32.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -90.5 157.59 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -74.62 111.87 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -113.86 126.84 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.91 78.91 0.6 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -110.74 42.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -63.33 121.97 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -113.26 5.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -120.43 82.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 13' ' ' MET . 23.3 m -109.54 -49.96 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.06 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.1 mt -56.04 -53.51 56.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.497 ' HG3' HG22 ' A' ' 9' ' ' THR . 6.6 mmt -40.92 -34.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -87.09 -53.51 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -38.24 -45.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.754 HD13 ' HE3' ' A' ' 19' ' ' MET . 4.5 mm? -60.49 -46.83 88.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.48 -38.26 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 15' ' ' HIS . 9.4 pt-20 -83.17 -25.53 31.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.754 ' HE3' HD13 ' A' ' 16' ' ' LEU . 20.5 mtm -73.52 -65.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.42 37.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 85.0 m-85 -142.75 120.02 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.1 t -84.38 -71.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' CYS . 17.8 m-20 -35.47 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' CYS . 15.2 ptt180 -77.21 -45.15 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -42.55 -44.46 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 45' ' ' LEU . 6.4 tt -59.41 -55.07 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' LEU . 19.6 m-20 -44.32 -64.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.5 mt -34.21 -66.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -38.77 -50.97 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' HIS . 49.9 mt -64.69 -40.93 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.018 HD23 HG21 ' A' ' 41' ' ' VAL . 69.4 mt -62.11 -68.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 28' ' ' LEU . 28.4 mttm -53.64 -15.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -99.63 -26.23 14.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.64 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 49.4 m80 -117.48 40.76 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 37' ' ' ASN . 7.2 p-10 41.53 53.5 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 23.2 m-85 34.26 43.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 41' ' ' VAL . 52.4 p-10 -87.99 75.81 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 19' ' ' MET . 5.7 tp -33.9 -39.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -46.39 -64.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -67.16 -61.15 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.018 HG21 HD23 ' A' ' 31' ' ' LEU . 86.3 t -37.14 -34.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 t -83.38 -60.09 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.413 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.6 m -45.65 -37.96 6.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.19 -56.83 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' A' ' 48' ' ' LEU . 22.6 mt -42.73 -53.94 4.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 43' ' ' THR . 14.7 mt -47.72 -46.29 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -63.85 -23.69 67.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 45' ' ' LEU . 6.7 mt -92.37 46.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -166.71 147.62 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.5 -65.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.86 8.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -39.16 -54.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -44.84 103.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.752 0.311 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.37 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.04 -63.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.6 mm? -60.35 -62.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' LEU . 24.1 mtp -36.44 -40.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.43 -61.37 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' ALA . 14.5 m-70 -37.51 -53.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.4 mm? -54.03 -49.08 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -52.09 -39.42 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -74.74 -53.75 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.3 mtm -45.38 -64.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.15 115.14 17.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.01 43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -122.86 85.48 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -67.16 -41.92 85.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.81 -62.38 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' LEU . 2.0 m-20 -40.65 -62.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.7 mt -34.27 -63.46 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -43.01 -43.02 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HG22 ' A' ' 41' ' ' VAL . 19.0 mt -71.08 -50.24 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 13' ' ' MET . 86.0 mt -45.4 -50.82 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.63 28.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -134.34 -38.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -113.31 27.7 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 55.89 42.51 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 36' ' ' TYR . 4.4 m-85 56.88 36.72 28.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.4 m-20 -81.0 83.48 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 39' ' ' LEU . 7.4 tp -34.08 -40.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 38' ' ' ILE . 4.6 mm? -60.62 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -58.51 -41.03 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 30' ' ' LEU . 92.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' ILE . 95.4 t -76.82 -60.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.9 m -40.11 -41.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.56 -52.77 41.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 42' ' ' VAL . 18.0 mt -51.07 -47.17 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 43' ' ' THR . 25.4 mt -54.27 -36.47 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.1 74.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.94 -62.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.7 mm? -61.71 -53.85 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -37.4 -34.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.73 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -40.14 -54.48 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.7 mm? -57.72 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -43.89 -31.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -72.29 -58.38 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.551 ' HE1' HD11 ' A' ' 38' ' ' ILE . 43.2 mtm -50.27 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.5 34.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.72 114.93 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -103.16 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.8 m-20 -111.45 81.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -73.45 -45.82 52.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -58.65 -36.87 74.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 37.5 tp -79.8 -60.93 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 93.3 m-20 -34.43 -60.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 6.0 mt -35.75 -60.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -44.26 -45.45 8.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 mt -69.47 -40.51 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.149 HD23 HG21 ' A' ' 41' ' ' VAL . 89.3 mt -60.82 -64.79 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -49.89 -25.49 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 7.6 tmtm? -87.69 -33.0 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.6 m-70 -105.42 32.81 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 40.24 42.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 56.8 50.49 12.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ILE . 17.1 m-20 -102.94 84.73 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.551 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.9 tp -34.06 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.1 mm? -59.89 -66.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.91 -51.74 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.149 HG21 HD23 ' A' ' 31' ' ' LEU . 92.4 t -51.01 -58.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 38' ' ' ILE . 42.3 t -54.48 -64.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.8 m -40.24 -37.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.13 -54.44 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 42' ' ' VAL . 21.7 mt -47.66 -54.28 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -45.09 -52.01 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.763 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.62 -60.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.54 -47.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.69 HD12 HD22 ' A' ' 31' ' ' LEU . 4.2 mt -74.38 -56.71 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 5.9 mmt -35.58 -46.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -72.29 -53.5 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.3 m-70 -34.57 -38.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 38' ' ' ILE . 4.2 mm? -73.09 -52.54 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.53 -24.0 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 12.4 pt-20 -93.75 -22.56 18.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 mtm -80.03 -28.5 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.14 24.56 2.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -122.9 105.0 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 m -92.04 30.58 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.96 84.54 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 25' ' ' GLN . 51.4 ttt-85 -66.28 -62.48 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' ARG . 17.4 pt20 -36.42 -45.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.9 mt -65.22 -64.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 74.1 m-20 -34.63 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 10.9 mt -37.2 -61.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -47.4 -42.44 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.7 mt -69.1 -63.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 41' ' ' VAL . 45.9 mt -34.65 -64.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -42.74 -38.48 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.7 tmtm? -76.37 -40.63 50.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 95.9 m-70 -95.24 33.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.7 m-20 37.94 37.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 63.83 53.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 35.9 m-20 -110.77 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.3 tp -34.01 -40.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 38' ' ' ILE . 5.4 mp -55.41 -71.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 37.8 mm-40 -50.87 -54.2 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.986 HG21 HD23 ' A' ' 31' ' ' LEU . 84.3 t -45.95 -63.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.39 -64.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.8 m -39.5 -36.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.37 -56.26 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 mt -40.97 -56.39 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.77 -39.21 65.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.39 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.08 -60.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.2 mm? -60.66 -56.05 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.9 mmt -34.52 -43.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -52.38 -68.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.0 m-70 -34.51 -41.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.2 mm? -67.15 -59.16 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -49.79 -39.76 39.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 19' ' ' MET . 11.9 pt-20 -75.71 -43.77 45.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.463 ' HE1' HD13 ' A' ' 16' ' ' LEU . 37.9 mtm -58.73 -66.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.7 38.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -146.94 116.59 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.355 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 87.3 m -98.71 -49.91 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.1 m-20 -34.45 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -71.05 -28.82 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 26' ' ' LEU . 15.9 pt20 -56.32 -44.6 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.6 mm? -71.32 -62.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.1 m-20 -34.41 -63.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.6 mt -43.5 -59.33 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LEU . 13.5 mmt85 -37.2 -49.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.918 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.6 mm? -72.79 -44.03 62.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 41' ' ' VAL . 86.9 mt -55.13 -33.29 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HE2' HD22 ' A' ' 28' ' ' LEU . 40.9 mttm -94.97 0.44 54.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 8.3 tmtt? -103.94 -58.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 81.3 m-70 -84.12 19.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 61.78 43.42 9.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.4 m-85 61.6 41.61 12.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.6 m-20 -96.05 82.37 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.504 HG23 HD23 ' A' ' 39' ' ' LEU . 8.3 tp -34.98 -37.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -55.59 -61.16 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.589 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 60.9 mm-40 -61.22 -50.6 72.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.918 HG22 ' HB3' ' A' ' 30' ' ' LEU . 58.5 t -47.33 -45.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.68 -64.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -41.91 -39.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.67 -51.76 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -46.37 -60.86 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.8 mt -44.91 -41.84 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.79 0.329 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.53 -39.31 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.88 78.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.3 mm? -74.24 -46.69 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -50.12 -37.66 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -62.82 -56.59 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.2 m-70 -36.05 -35.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.6 mm? -72.81 -54.74 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -55.2 -37.02 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.9 pt-20 -77.36 -34.66 55.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtm -70.63 -68.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.87 39.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -142.25 105.37 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' ASP . 84.9 m -76.04 -33.6 59.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.5 m-20 -34.65 105.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.31 -70.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -44.4 -49.23 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.3 tp -47.54 -55.58 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' LEU . 63.1 m-20 -35.18 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' ASN . 20.5 mt -36.27 -65.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -39.25 -40.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -75.89 -51.15 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 41' ' ' VAL . 44.0 mt -50.19 -52.95 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -64.5 -6.16 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.2 tmtm? -102.95 -38.03 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 40' ' ' GLN . 76.0 m-70 -106.51 35.73 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 37.76 49.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 49.76 51.64 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.59 HD22 ' NE2' ' A' ' 40' ' ' GLN . 44.8 t30 -106.32 85.76 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 tp -39.74 -35.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.01 -44.4 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.59 ' NE2' HD22 ' A' ' 37' ' ' ASN . 31.1 mt-30 -79.87 -63.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.724 HG21 HD23 ' A' ' 31' ' ' LEU . 84.4 t -36.22 -39.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.52 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -43.52 -36.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -72.53 -41.32 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.33 -30.31 69.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.97 -7.41 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.55 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.08 -52.56 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.768 HD22 HD22 ' A' ' 31' ' ' LEU . 6.1 mp -74.63 -54.88 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.9 mmt -38.96 -25.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -84.11 -52.52 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.34 -56.3 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 38' ' ' ILE . 10.8 mt -57.89 -47.64 82.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 13' ' ' MET . 5.5 m-85 -55.71 -18.28 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -99.85 -24.19 14.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 mtt -76.46 -14.96 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.97 -10.06 8.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -87.96 109.54 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.8 p -87.92 -43.61 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.28 123.83 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' GLN . 46.2 ttt180 -93.92 -70.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 14.6 pt20 -34.64 -52.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -52.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' LEU . 75.6 m-20 -37.16 -59.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.7 mt -34.61 -59.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -44.65 -64.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.74 ' CB ' HG13 ' A' ' 41' ' ' VAL . 3.7 mm? -43.67 -44.16 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.109 HD23 HG21 ' A' ' 41' ' ' VAL . 66.2 mt -59.72 -68.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.64 -16.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -94.32 -32.25 13.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.444 ' CE1' ' CD ' ' A' ' 33' ' ' LYS . 94.8 m-70 -108.96 34.34 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 44.18 39.94 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' HD21 ' A' ' 12' ' ' LEU . 90.0 m-85 60.12 50.09 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 30.7 m-20 -103.66 79.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 16' ' ' LEU . 6.0 tp -34.17 -41.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.2 mp -52.63 -51.0 62.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 8.5 mt-30 -70.18 -54.28 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.109 HG21 HD23 ' A' ' 31' ' ' LEU . 41.3 t -46.85 -43.81 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 38' ' ' ILE . 86.6 t -68.03 -58.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.414 HG22 ' NE2' ' A' ' 47' ' ' GLN . 35.8 m -48.36 -43.15 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.575 ' CG ' HD11 ' A' ' 30' ' ' LEU . 3.6 tm-20 -66.16 -43.65 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 16.0 mt -55.44 -59.05 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -56.91 -32.03 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' NE2' HG22 ' A' ' 43' ' ' THR . 22.8 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.426 HG21 HD21 ' A' ' 28' ' ' LEU . 86.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -50.44 -58.39 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.96 -31.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 36' ' ' TYR . 6.1 mt -90.87 -57.61 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 18.3 mtp -44.46 -38.44 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 17' ' ' PHE . . . -60.6 -62.87 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -39.44 -44.75 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 45' ' ' LEU . 13.6 mt -67.24 -38.94 86.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' CYS . 10.3 m-85 -64.22 -23.95 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.23 -50.02 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mtm -49.45 -56.51 9.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 159.07 34.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 83.5 m-85 -137.46 109.88 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 9.8 m -93.72 -34.13 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.3 p30 -36.38 96.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' CYS . 29.0 ttt85 -71.94 -67.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -38.55 -45.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 26' ' ' LEU . 6.1 tt -60.8 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 45.8 m-20 -41.4 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 13.0 mt -38.91 -59.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -44.57 -49.34 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 41' ' ' VAL . 12.5 mt -63.4 -63.61 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.078 HD23 HG21 ' A' ' 41' ' ' VAL . 41.0 mt -36.15 -64.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -44.33 -35.47 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CE1' ' A' ' 34' ' ' HIS . 1.7 tmtp? -79.33 -37.17 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 84.9 m-70 -99.02 33.22 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 39.38 36.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.489 ' HB3' HD11 ' A' ' 12' ' ' LEU . 86.7 m-85 64.13 50.71 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 8.1 m-20 -107.67 81.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.0 tp -33.95 -33.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.5 mp -55.96 -64.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 42.0 mm-40 -60.48 -45.64 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.078 HG21 HD23 ' A' ' 31' ' ' LEU . 63.8 t -54.44 -37.86 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 38' ' ' ILE . 38.4 t -75.01 -55.99 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -50.02 -44.54 51.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -63.89 -49.77 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' A' ' 16' ' ' LEU . 20.2 mt -48.71 -59.05 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 mt -43.85 -39.8 4.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.94 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.71 -56.47 13.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.9 -58.59 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.7 mmt -34.67 -61.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.11 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -40.18 -50.89 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.95 -40.03 91.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 22' ' ' CYS . 22.5 m-85 -72.83 -3.68 27.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.34 5.3 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.1 ptp -125.42 -25.41 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.62 -18.7 3.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -88.49 121.54 30.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 25.8 p -114.18 -24.02 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 m-20 -36.17 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' CYS . 63.3 ttt180 -65.13 -72.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.65 -48.87 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -54.41 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' LEU . 65.5 m-20 -39.84 -54.73 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.779 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.7 mt -37.06 -54.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -50.71 -45.72 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 41' ' ' VAL . 3.7 mm? -66.35 -43.44 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.904 HD23 HG21 ' A' ' 41' ' ' VAL . 49.6 mt -61.74 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.779 ' HE2' HD22 ' A' ' 28' ' ' LEU . 37.2 mttm -56.1 -14.62 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.81 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 74.1 m-70 -115.64 37.89 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 39.19 36.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 66.16 55.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 t-20 -105.92 104.53 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 39' ' ' LEU . 6.8 tp -51.06 -52.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.609 ' N ' HG23 ' A' ' 38' ' ' ILE . 5.5 mp -48.67 -59.15 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 12.5 mm100 -57.77 -59.01 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.904 HG21 HD23 ' A' ' 31' ' ' LEU . 60.2 t -43.43 -59.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 96.2 t -56.94 -53.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.3 m -45.77 -46.27 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.86 -54.54 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 42' ' ' VAL . 9.1 mt -37.69 -54.38 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.98 -36.77 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . 36.5 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 76.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.333 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -37.81 -49.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -34.76 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.1 mm? -77.93 -62.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.929 ' CE ' HD22 ' A' ' 28' ' ' LEU . 3.0 mmt -38.05 -44.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -55.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.57 ' HB2' HD13 ' A' ' 38' ' ' ILE . 72.1 m-70 -34.28 -58.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 41' ' ' VAL . 10.4 mt -53.5 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -41.91 -29.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.0 -51.07 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.523 ' CE ' HD11 ' A' ' 38' ' ' ILE . 33.7 mtm -51.28 -62.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.3 32.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -126.35 95.93 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.1 m -100.21 45.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -115.51 86.58 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' GLN . 10.9 mtt-85 -59.01 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.591 ' HG3' HD23 ' A' ' 26' ' ' LEU . 8.4 pt20 -34.11 -45.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.4 mm? -74.23 -63.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 82.1 m-20 -37.46 -45.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' CE ' ' A' ' 13' ' ' MET . 2.8 mm? -51.83 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -42.98 -33.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' A' ' 41' ' ' VAL . 20.6 mt -70.15 -38.41 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 41' ' ' VAL . 34.6 mt -67.53 -56.84 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.53 -4.81 9.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -109.36 -29.43 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -109.42 33.34 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 44.08 32.73 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 9' ' ' THR . 75.6 m-85 61.77 52.46 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ILE . 13.7 m-20 -109.92 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.5 tp -37.06 -33.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -58.82 -74.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.72 -45.93 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 31' ' ' LEU . 48.0 t -50.73 -51.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 16' ' ' LEU . 32.2 t -69.21 -60.12 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.74 -43.61 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -56.18 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 32.2 mt -40.7 -61.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -39.19 -36.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -55.16 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -36.17 -34.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' ALA . 12.5 mt -82.03 -48.65 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.461 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.5 mmt -43.21 -28.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -85.21 -52.0 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.456 ' CB ' HD13 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -34.45 -44.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.8 mm? -68.32 -71.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -39.17 -37.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -68.12 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.444 ' CE ' HD13 ' A' ' 16' ' ' LEU . 56.2 mtm -44.14 -64.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.87 31.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.9 m-85 -123.02 104.97 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.1 m -90.66 48.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -114.99 127.23 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -97.66 -61.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 7.3 pm0 -68.38 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -64.34 -69.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LEU . 71.2 m-20 -34.19 -60.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' HE3' ' A' ' 32' ' ' LYS . 9.2 mt -36.5 -49.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -53.13 -46.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' CB ' HG13 ' A' ' 41' ' ' VAL . 23.1 mt -68.79 -43.39 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 41' ' ' VAL . 60.7 mt -61.66 -63.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' HD22 ' A' ' 28' ' ' LEU . 77.3 mttt -52.47 -17.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.1 tmtm? -96.31 -32.73 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 89.2 m-70 -103.91 33.33 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 43.88 35.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' HD11 ' A' ' 12' ' ' LEU . 83.6 m-85 64.84 51.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -108.71 91.17 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.1 tp -41.15 -29.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 38' ' ' ILE . 3.8 mt -61.92 -73.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 88.1 mm-40 -49.22 -51.27 34.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.974 HG21 HD23 ' A' ' 31' ' ' LEU . 96.0 t -45.96 -39.79 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 38' ' ' ILE . 70.7 t -77.35 -57.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' VAL . 100.0 m -35.51 -46.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 11.7 tt0 -68.87 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 16.9 mt -38.62 -38.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.87 -40.19 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLU . 46.8 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.46 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.01 -59.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.5 mp -58.04 -52.72 64.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.513 ' HE1' ' OD1' ' A' ' 27' ' ' ASN . 2.9 mtt -36.75 -41.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.95 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.47 ' O ' ' HE2' ' A' ' 19' ' ' MET . 6.6 m-70 -40.16 -31.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.583 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -76.89 -48.28 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' CYS . 10.6 m-85 -59.9 -27.98 67.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.2 pt-20 -86.81 -36.72 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 38' ' ' ILE . 35.5 mtm -67.89 -50.85 53.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 156.74 35.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 31.0 m-85 -151.33 110.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 29.7 p -110.21 45.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.21 83.64 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -77.29 -12.53 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.55 -56.78 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' HE1' ' A' ' 13' ' ' MET . 44.1 p30 -44.73 -35.54 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.5 mt -44.04 -62.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 24.2 mtp180 -52.07 -34.61 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.675 ' CB ' HG13 ' A' ' 41' ' ' VAL . 75.7 mt -74.06 -32.33 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD23 HG21 ' A' ' 41' ' ' VAL . 90.9 mt -75.73 -45.01 38.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -79.95 -4.89 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 3.9 tmtm? -106.67 -47.21 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 92.9 m-70 -90.31 27.87 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.49 32.66 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 66.46 47.67 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ILE . 2.6 m-20 -99.87 85.59 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.3 tp -34.03 -36.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.1 mp -66.19 -61.12 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 69.0 mt-30 -56.84 -44.96 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.675 HG13 ' CB ' ' A' ' 30' ' ' LEU . 91.6 t -55.71 -64.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' HA ' HD23 ' A' ' 45' ' ' LEU . 60.9 t -47.8 -58.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 97.5 m -34.2 -38.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.8 tp10 -71.47 -54.99 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 mm? -39.78 -40.61 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 mp -70.77 -35.67 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' GLU . 88.0 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.81 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.52 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -55.85 -45.95 78.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -42.15 -24.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -89.7 -51.44 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CB ' HD13 ' A' ' 38' ' ' ILE . 1.4 m-70 -40.75 -44.99 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.61 -59.49 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -49.21 -32.71 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.94 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 38' ' ' ILE . 31.0 mtm -48.52 -57.0 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.78 36.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -125.34 91.34 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 m -70.47 -37.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.1 p-10 -39.07 110.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 25' ' ' GLN . 2.1 tmt_? -94.4 -51.46 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -52.26 -32.8 38.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 45' ' ' LEU . 4.1 tt -75.9 -56.02 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 28' ' ' LEU . 90.7 m-20 -42.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.0 mt -35.35 -62.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.66 -44.53 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 39.3 mt -70.6 -58.79 3.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 70.9 mt -35.67 -63.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.3 mptp? -47.86 -34.92 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.0 tmtm? -77.26 -36.09 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 68.5 m-70 -103.46 33.06 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 p-10 37.37 35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 65.82 55.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -107.77 92.72 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.3 tp -48.04 -26.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 38' ' ' ILE . 3.4 mm? -68.92 -49.67 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.5 mm100 -78.04 -55.37 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 97.0 t -45.37 -30.35 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 38' ' ' ILE . 32.0 t -80.1 -69.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -40.97 -32.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -42.2 58.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 26' ' ' LEU . 22.3 mt -57.55 -35.15 69.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.95 -17.44 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.776 0.322 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -64.79 -58.29 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.21 -40.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD1' HD22 ' A' ' 31' ' ' LEU . 12.7 mt -78.56 -54.84 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE1' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -34.34 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -79.22 -51.5 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' C ' ' HG2' ' A' ' 18' ' ' GLU . 2.0 t-80 -37.56 -36.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -78.36 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -48.55 -25.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 6.2 pt-20 -85.56 -26.95 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HD13 ' A' ' 16' ' ' LEU . 39.3 mtm -80.17 -71.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.04 28.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.31 109.78 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.45 51.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.79 88.71 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' GLN . 7.9 ttt180 -60.8 -57.05 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 30.0 pt20 -36.48 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 HD21 ' A' ' 45' ' ' LEU . 3.3 tt -79.37 -58.86 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 66.6 m-20 -36.92 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HE2' ' A' ' 32' ' ' LYS . 11.1 mt -50.55 -61.06 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -43.16 -38.19 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' OE1' ' A' ' 44' ' ' GLU . 19.5 mt -73.23 -58.21 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.028 HD23 HG21 ' A' ' 41' ' ' VAL . 89.5 mt -45.09 -55.79 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.9 mptp? -54.53 -22.88 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 8.0 tmtt? -89.98 -37.62 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 89.6 m-70 -96.53 30.47 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 40.45 41.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 64.36 54.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -112.78 98.29 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 tp -48.33 -48.34 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.6 mm? -48.11 -69.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 43' ' ' THR . 28.3 mt-30 -53.34 -57.5 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.028 HG21 HD23 ' A' ' 31' ' ' LEU . 25.4 t -42.06 -40.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' ILE . 88.6 t -79.61 -69.93 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 40' ' ' GLN . 1.4 t -38.15 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' A' ' 30' ' ' LEU . 4.7 tm-20 -76.76 -47.11 22.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 HD22 ' A' ' 26' ' ' LEU . 19.5 mt -56.69 -27.3 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.27 -19.46 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.15 -46.17 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.02 -60.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.7 mm? -62.94 -63.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.514 ' HE3' ' HG ' ' A' ' 28' ' ' LEU . 3.4 mmt -34.56 -37.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -65.97 -73.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HB2' HD13 ' A' ' 38' ' ' ILE . 21.0 m-70 -34.47 -36.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 8.5 mt -76.73 -49.0 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 m-85 -59.57 -31.2 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 11.8 pt-20 -85.39 -49.27 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.4 mtm -50.0 -56.83 9.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.35 39.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.491 ' CD1' HD13 ' A' ' 45' ' ' LEU . 89.1 m-85 -132.93 100.59 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' ASP . 90.5 m -79.59 -41.59 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.5 p30 -35.27 104.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 25' ' ' GLN . 1.7 tmm_? -89.43 -48.38 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 19.1 pt20 -55.32 -42.91 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 tp -70.83 -54.6 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.8 m-20 -35.31 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 12.5 mt -37.41 -59.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -45.35 -39.32 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ASN . 26.0 mt -77.16 -28.71 54.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 HG21 ' A' ' 41' ' ' VAL . 53.7 mt -68.45 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.1 mppt? -48.59 -28.56 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.4 tmtm? -80.29 -39.73 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.2 m-70 -99.72 30.3 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 42.72 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 63.43 48.96 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -105.1 90.35 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.4 tp -42.43 -29.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.11 -70.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 61.3 mm-40 -52.76 -53.2 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG21 HD23 ' A' ' 31' ' ' LEU . 97.7 t -43.36 -53.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.97 -53.79 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.59 -43.29 8.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 tt0 -71.19 -60.14 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 21' ' ' PHE . 13.0 mt -34.4 -63.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -39.83 -46.77 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.04 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.96 -46.94 11.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD22 HD22 ' A' ' 31' ' ' LEU . 6.5 mp -76.26 -60.03 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.919 ' CE ' HD22 ' A' ' 28' ' ' LEU . 6.3 mmm -46.22 -29.15 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.79 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 4.3 m-70 -68.64 -42.65 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.61 -37.69 85.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.77 -20.48 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -89.1 -48.42 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.518 ' HE1' ' HB3' ' A' ' 15' ' ' HIS . 3.0 mpp? -55.26 -62.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.9 31.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 45' ' ' LEU . 12.2 m-85 -137.47 119.54 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.6 m -126.73 55.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 8.0 m-20 -120.93 90.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' GLN . 5.8 mmt85 -58.23 -61.88 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 24.6 pt20 -34.01 -54.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 43.9 tp -71.39 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 83.4 m-20 -34.42 -55.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' CE ' ' A' ' 13' ' ' MET . 1.3 mm? -46.07 -61.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 28.4 mtp180 -50.32 -41.54 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' HIS . 18.8 mt -62.74 -41.17 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 13' ' ' MET . 71.8 mt -64.37 -59.38 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -66.06 -4.7 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tmtp? -108.43 -26.92 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' LEU . 70.6 m-70 -108.8 27.83 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 44.6 37.21 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 63.36 45.38 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 38' ' ' ILE . 43.6 t-20 -98.43 78.36 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -34.0 -37.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.5 mt -57.96 -71.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.6 mm-40 -48.15 -50.37 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG21 HD23 ' A' ' 31' ' ' LEU . 42.7 t -47.43 -31.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ILE . 87.8 t -80.91 -61.41 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 m -43.31 -36.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.39 -49.94 30.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 21' ' ' PHE . 26.7 mt -48.23 -60.35 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -46.4 -43.5 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -41.88 -53.13 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.16 -58.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.74 -57.09 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 12.2 mtp -38.23 -41.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.99 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ALA . 19.1 m-70 -35.29 -39.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.2 -56.33 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -51.98 -36.9 51.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' MET . 9.9 pt-20 -78.67 -38.58 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.684 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 mtm -62.5 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.19 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.8 97.97 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.7 p -95.46 48.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.41 92.02 2.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.71 -34.71 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -71.33 -19.21 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -94.54 -44.66 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.699 HD21 HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -65.95 -46.36 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.2 mt -39.15 -54.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.5 ttm105 -48.96 -57.92 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.829 ' CB ' HG13 ' A' ' 41' ' ' VAL . 4.3 mm? -48.05 -40.95 24.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 HG21 ' A' ' 41' ' ' VAL . 71.4 mt -63.4 -70.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -53.69 -16.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -95.85 -29.74 14.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . 92.9 m-70 -113.98 35.22 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 42.36 35.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 63.57 50.09 2.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -104.52 87.3 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.684 HD11 ' HE2' ' A' ' 19' ' ' MET . 6.1 tp -38.0 -34.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 38' ' ' ILE . 3.6 mt -59.32 -63.59 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.12 -52.04 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 ' CB ' ' A' ' 30' ' ' LEU . 88.0 t -45.08 -50.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG2' ' HE1' ' A' ' 19' ' ' MET . 37.9 t -69.22 -56.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.2 m -43.64 -47.83 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.19 -48.07 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.34 -43.65 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -72.75 -31.74 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' TYR . 84.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.74 -47.42 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.05 -59.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.9 mm? -62.5 -63.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.835 ' HE1' HD22 ' A' ' 28' ' ' LEU . 3.2 mmt -35.36 -38.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.98 -56.04 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 18.0 m-70 -46.22 -33.5 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.4 mm? -73.82 -51.14 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.49 -36.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -77.56 -26.21 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 15' ' ' HIS . 16.2 mtm -78.95 -66.32 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.14 33.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.7 109.59 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ARG . 24.4 p -86.42 -37.46 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -45.02 91.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.565 ' NH1' HD21 ' A' ' 28' ' ' LEU . 45.5 ttt-85 -77.67 -57.54 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 28.4 pt20 -41.03 -47.98 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.691 HD23 ' C ' ' A' ' 26' ' ' LEU . 4.2 tt -64.52 -55.1 22.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LEU . 84.9 m-20 -36.71 -47.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.835 HD22 ' HE1' ' A' ' 13' ' ' MET . 1.4 mm? -48.44 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 27.0 mtp85 -35.62 -47.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 12.9 mt -56.84 -46.66 81.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.788 HD23 HG21 ' A' ' 41' ' ' VAL . 65.4 mt -63.9 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -55.36 -14.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -99.98 -31.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 98.6 m-70 -111.26 30.06 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 47.06 34.54 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HG23 ' A' ' 9' ' ' THR . 38.9 m-85 63.62 48.31 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.1 m-20 -98.42 94.17 6.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 12' ' ' LEU . 10.3 tp -40.92 -28.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.77 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.4 mm100 -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.788 HG21 HD23 ' A' ' 31' ' ' LEU . 75.1 t -59.38 -46.93 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' HD13 ' A' ' 46' ' ' LEU . 30.8 t -73.94 -54.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.7 m -44.06 -46.12 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.4 tp10 -68.28 -59.5 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 27.2 mt -36.47 -52.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 42' ' ' VAL . 11.1 mp -56.89 -39.46 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.9 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.826 0.346 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.87 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.09 -69.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.2 -59.75 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.609 ' HG2' HD11 ' A' ' 31' ' ' LEU . 9.7 mtp -41.71 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . . . -34.74 -45.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -48.23 -48.08 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.677 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.5 mm? -61.9 -41.79 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.63 -34.94 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.06 -57.37 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.677 ' CE ' HD13 ' A' ' 16' ' ' LEU . 50.8 mtm -47.74 -63.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.46 32.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -127.36 98.76 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.38 51.67 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.73 85.14 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.54 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 2.2 pp0? -61.82 -53.36 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 36.0 tp -60.91 -61.48 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LEU . 87.9 m-20 -34.35 -61.01 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.1 mt -37.27 -64.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 29' ' ' ARG . 15.4 mtp-105 -43.99 -45.23 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 57.4 mt -66.04 -61.12 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 85.1 mt -37.69 -65.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -56.09 -24.78 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tmtp? -83.96 -25.76 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 80.5 m-70 -112.34 24.65 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.58 41.17 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 61.82 49.7 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -108.31 98.41 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.621 HG23 ' N ' ' A' ' 39' ' ' LEU . 5.7 tp -50.76 -52.43 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.621 ' N ' HG23 ' A' ' 38' ' ' ILE . 2.0 mm? -45.54 -50.19 13.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 11.5 mm100 -71.49 -64.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 42.9 t -35.26 -35.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' GLN . 61.3 t -81.9 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' NE2' ' A' ' 47' ' ' GLN . 50.3 m -42.06 -35.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.31 -51.56 17.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 42' ' ' VAL . 32.2 mt -45.63 -51.29 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.605 ' NE2' HG22 ' A' ' 43' ' ' THR . 48.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.836 0.35 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -46.15 76.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.82 -65.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.5 mm? -61.67 -56.59 18.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.8 mmt -37.17 -40.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -63.48 -63.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ALA . 2.4 m-70 -35.72 -59.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.9 mm? -47.75 -57.98 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.44 -36.57 54.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.16 -60.47 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.654 ' HE1' HD11 ' A' ' 38' ' ' ILE . 25.7 mtm -45.63 -67.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.25 34.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -119.04 100.7 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.68 33.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.59 80.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 7.6 ptt-85 -74.32 -15.81 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.44 -15.61 57.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -102.87 -56.8 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 42.4 p-10 -43.8 -37.93 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 6.9 mt -45.07 -69.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 33.0 mtm180 -44.26 -42.89 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.874 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.5 mt -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.929 HD23 HG21 ' A' ' 41' ' ' VAL . 93.9 mt -62.9 -71.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -48.1 -23.87 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 7.4 tmtm? -86.21 -36.34 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -103.3 31.67 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 t30 44.61 37.12 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 64.8 54.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -105.6 94.79 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD11 ' HE1' ' A' ' 19' ' ' MET . 2.4 tp -44.48 -45.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.4 mt -51.99 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -50.42 -51.03 50.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.929 HG21 HD23 ' A' ' 31' ' ' LEU . 22.9 t -52.05 -69.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.47 -58.33 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -46.0 -39.16 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 30' ' ' LEU . 21.8 tp10 -70.32 -60.78 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 10.5 mt -35.11 -56.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.43 -43.75 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' GLU . 77.4 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 13' ' ' MET . 23.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.832 0.349 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.06 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.1 mt -56.04 -53.51 56.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.497 ' HG3' HG22 ' A' ' 9' ' ' THR . 6.6 mmt -40.92 -34.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -87.09 -53.51 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -38.24 -45.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.754 HD13 ' HE3' ' A' ' 19' ' ' MET . 4.5 mm? -60.49 -46.83 88.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.48 -38.26 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 15' ' ' HIS . 9.4 pt-20 -83.17 -25.53 31.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.754 ' HE3' HD13 ' A' ' 16' ' ' LEU . 20.5 mtm -73.52 -65.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.42 37.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 85.0 m-85 -142.75 120.02 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.1 t -84.38 -71.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' CYS . 17.8 m-20 -35.47 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' CYS . 15.2 ptt180 -77.21 -45.15 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -42.55 -44.46 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 45' ' ' LEU . 6.4 tt -59.41 -55.07 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' LEU . 19.6 m-20 -44.32 -64.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.5 mt -34.21 -66.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -38.77 -50.97 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' HIS . 49.9 mt -64.69 -40.93 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.018 HD23 HG21 ' A' ' 41' ' ' VAL . 69.4 mt -62.11 -68.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 28' ' ' LEU . 28.4 mttm -53.64 -15.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -99.63 -26.23 14.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LEU . 99.2 m-70 -117.48 40.76 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 37' ' ' ASN . 7.2 p-10 41.53 53.5 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 23.2 m-85 34.26 43.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 41' ' ' VAL . 52.4 p-10 -87.99 75.81 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 19' ' ' MET . 5.7 tp -33.9 -39.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -46.39 -64.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -67.16 -61.15 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.018 HG21 HD23 ' A' ' 31' ' ' LEU . 86.3 t -37.14 -34.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 t -83.38 -60.09 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.413 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.6 m -45.65 -37.96 6.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.19 -56.83 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 22.6 mt -42.73 -53.94 4.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 43' ' ' THR . 14.7 mt -47.72 -46.29 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -61.74 139.24 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -130.3 166.72 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.28 166.83 23.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -54.86 160.85 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -42.19 -45.12 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.08 -167.87 53.95 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.98 41.9 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.0 m -90.2 -54.18 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.37 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.04 -63.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.6 mm? -60.35 -62.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' LEU . 24.1 mtp -36.44 -40.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.43 -61.37 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' ALA . 14.5 m-70 -37.51 -53.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.4 mm? -54.03 -49.08 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -52.09 -39.42 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -74.74 -53.75 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.3 mtm -45.38 -64.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.15 115.14 17.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.01 43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -122.86 85.48 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -67.16 -41.92 85.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.81 -62.38 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' LEU . 2.0 m-20 -40.65 -62.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.7 mt -34.27 -63.46 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -43.01 -43.02 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.916 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HG22 ' A' ' 41' ' ' VAL . 19.0 mt -71.08 -50.24 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 13' ' ' MET . 86.0 mt -45.4 -50.82 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.63 28.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -134.34 -38.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -113.31 27.7 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 55.89 42.51 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 36' ' ' TYR . 4.4 m-85 56.88 36.72 28.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.4 m-20 -81.0 83.48 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 39' ' ' LEU . 7.4 tp -34.08 -40.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 38' ' ' ILE . 4.6 mm? -60.62 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -58.51 -41.03 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 30' ' ' LEU . 92.0 t -59.35 -42.64 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' ILE . 95.4 t -76.82 -60.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.9 m -40.11 -41.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.56 -52.77 41.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HA ' HD12 ' A' ' 48' ' ' LEU . 18.0 mt -51.07 -47.17 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 43' ' ' THR . 25.4 mt -54.27 -36.47 63.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.6 -52.76 41.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 45' ' ' LEU . 13.5 mt -47.39 -61.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -78.26 133.82 37.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.05 169.5 14.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -11.18 30.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -79.77 90.86 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -118.59 -45.41 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m 58.4 42.15 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -118.15 164.64 14.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 167.52 12.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -81.68 165.97 20.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -168.45 136.01 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.76 163.25 10.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -97.02 21.5 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.4 m -56.86 -52.13 66.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.1 74.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.94 -62.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.7 mm? -61.71 -53.85 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -37.4 -34.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.73 9.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -40.14 -54.48 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.7 mm? -57.72 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -43.89 -31.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -72.29 -58.38 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.551 ' HE1' HD11 ' A' ' 38' ' ' ILE . 43.2 mtm -50.27 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.5 34.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -125.72 114.93 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -103.16 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.8 m-20 -111.45 81.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -73.45 -45.82 52.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -58.65 -36.87 74.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 37.5 tp -79.8 -60.93 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 93.3 m-20 -34.43 -60.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 6.0 mt -35.75 -60.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -44.26 -45.45 8.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.9 mt -69.47 -40.51 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.149 HD23 HG21 ' A' ' 41' ' ' VAL . 89.3 mt -60.82 -64.79 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -49.89 -25.49 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 7.6 tmtm? -87.69 -33.0 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.6 m-70 -105.42 32.81 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 40.24 42.17 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 56.8 50.49 12.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ILE . 17.1 m-20 -102.94 84.73 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.551 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.9 tp -34.06 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASN . 2.1 mm? -59.89 -66.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.91 -51.74 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.149 HG21 HD23 ' A' ' 31' ' ' LEU . 92.4 t -51.01 -58.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 38' ' ' ILE . 42.3 t -54.48 -64.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.8 m -40.24 -37.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG3' HD11 ' A' ' 48' ' ' LEU . 5.3 tp10 -70.13 -54.44 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' HD12 ' A' ' 48' ' ' LEU . 21.7 mt -47.66 -54.28 12.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -45.09 -52.01 9.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -29.39 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 45' ' ' LEU . 5.1 mt -88.55 48.85 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -163.15 128.1 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.98 77.25 0.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -25.79 28.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 p -66.69 -49.17 66.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -84.2 100.6 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -71.86 139.61 48.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -76.34 105.85 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.7 -65.33 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -85.92 112.84 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.41 170.65 47.87 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -92.13 64.23 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.0 m -95.26 -62.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.62 -60.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.54 -47.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD12 HD22 ' A' ' 31' ' ' LEU . 4.2 mt -74.38 -56.71 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 5.9 mmt -35.58 -46.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -72.29 -53.5 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.3 m-70 -34.57 -38.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 38' ' ' ILE . 4.2 mm? -73.09 -52.54 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -55.53 -24.0 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 12.4 pt-20 -93.75 -22.56 18.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 mtm -80.03 -28.5 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.14 24.56 2.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -122.9 105.0 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.4 m -92.04 30.58 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.96 84.54 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 25' ' ' GLN . 51.4 ttt-85 -66.28 -62.48 1.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' ARG . 17.4 pt20 -36.42 -45.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.9 mt -65.22 -64.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 74.1 m-20 -34.63 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 10.9 mt -37.2 -61.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -47.4 -42.44 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.7 mt -69.1 -63.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 41' ' ' VAL . 45.9 mt -34.65 -64.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -42.74 -38.48 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.7 tmtm? -76.37 -40.63 50.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 95.9 m-70 -95.24 33.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.7 m-20 37.94 37.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 63.83 53.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 35.9 m-20 -110.77 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 37' ' ' ASN . 7.3 tp -34.01 -40.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 38' ' ' ILE . 5.4 mp -55.41 -71.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 37.8 mm-40 -50.87 -54.2 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.986 HG21 HD23 ' A' ' 31' ' ' LEU . 84.3 t -45.95 -63.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.39 -64.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.8 m -39.5 -36.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.37 -56.26 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' A' ' 48' ' ' LEU . 25.3 mt -40.97 -56.39 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.77 -39.21 65.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.28 -52.07 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 45' ' ' LEU . 19.2 mt -48.89 -45.12 40.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 m -95.16 174.84 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.47 146.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -4.87 14.87 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.9 p -41.23 113.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -113.63 95.64 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -115.82 107.28 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -169.4 157.49 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.22 -73.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -95.66 134.22 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -45.28 -57.92 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.69 89.32 2.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.479 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 38.1 tt0 -51.45 -47.84 62.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -41.19 -54.5 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.76 -42.39 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 8' ' ' GLN . . . -45.08 -60.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.2 mm? -60.66 -56.05 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.9 mmt -34.52 -43.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -52.38 -68.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.0 m-70 -34.51 -41.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.2 mm? -67.15 -59.16 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -49.79 -39.76 39.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 19' ' ' MET . 11.9 pt-20 -75.71 -43.77 45.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.463 ' HE1' HD13 ' A' ' 16' ' ' LEU . 37.9 mtm -58.73 -66.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.7 38.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -146.94 116.59 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.355 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 87.3 m -98.71 -49.91 4.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.1 m-20 -34.45 98.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -71.05 -28.82 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' HD23 ' A' ' 26' ' ' LEU . 15.9 pt20 -56.32 -44.6 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.6 mm? -71.32 -62.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.1 m-20 -34.41 -63.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.6 mt -43.5 -59.33 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' LEU . 13.5 mmt85 -37.2 -49.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.918 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.6 mm? -72.79 -44.03 62.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 41' ' ' VAL . 86.9 mt -55.13 -33.29 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HE2' HD22 ' A' ' 28' ' ' LEU . 40.9 mttm -94.97 0.44 54.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 8.3 tmtt? -103.94 -58.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' GLN . 81.3 m-70 -84.12 19.92 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 61.78 43.42 9.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.4 m-85 61.6 41.61 12.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 16.6 m-20 -96.05 82.37 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.504 HG23 HD23 ' A' ' 39' ' ' LEU . 8.3 tp -34.98 -37.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -55.59 -61.16 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.589 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 60.9 mm-40 -61.22 -50.6 72.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.918 HG22 ' HB3' ' A' ' 30' ' ' LEU . 58.5 t -47.33 -45.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.68 -64.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.3 m -41.91 -39.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' HG3' HD11 ' A' ' 48' ' ' LEU . 3.6 tp10 -71.67 -51.76 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' HA ' HD12 ' A' ' 48' ' ' LEU . 16.8 mt -46.37 -60.86 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.8 mt -44.91 -41.84 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.07 -47.31 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 45' ' ' LEU . 14.3 mt -59.66 -42.12 92.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -62.41 -47.95 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.2 -90.78 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -116.89 116.6 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.1 p -142.29 123.53 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.455 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -124.88 162.24 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -82.79 43.54 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.73 82.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.539 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -64.59 114.55 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -63.14 114.74 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' THR . . . 171.7 50.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' O ' ' CD2' ' A' ' 36' ' ' TYR . 13.3 pt20 -55.06 85.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' GLY . 18.4 m -112.53 -74.67 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.53 -39.31 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.88 78.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.3 mm? -74.24 -46.69 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -50.12 -37.66 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -62.82 -56.59 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ALA . 3.2 m-70 -36.05 -35.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.6 mm? -72.81 -54.74 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -55.2 -37.02 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.9 pt-20 -77.36 -34.66 55.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtm -70.63 -68.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.87 39.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -142.25 105.37 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' ASP . 84.9 m -76.04 -33.6 59.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.5 m-20 -34.65 105.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.31 -70.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -44.4 -49.23 9.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' ASN . 59.3 tp -47.54 -55.58 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' LEU . 63.1 m-20 -35.18 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' ASN . 20.5 mt -36.27 -65.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -39.25 -40.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -75.89 -51.15 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 41' ' ' VAL . 44.0 mt -50.19 -52.95 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -64.5 -6.16 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.2 tmtm? -102.95 -38.03 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 40' ' ' GLN . 76.0 m-70 -106.51 35.73 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 37.76 49.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.507 ' CD2' ' O ' ' A' ' 8' ' ' GLN . 65.1 m-85 49.76 51.64 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.59 HD22 ' NE2' ' A' ' 40' ' ' GLN . 44.8 t30 -106.32 85.76 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 tp -39.74 -35.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.01 -44.4 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.59 ' NE2' HD22 ' A' ' 37' ' ' ASN . 31.1 mt-30 -79.87 -63.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.724 HG21 HD23 ' A' ' 31' ' ' LEU . 84.4 t -36.22 -39.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.52 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -43.52 -36.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -72.53 -41.32 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.33 -30.31 69.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.97 -7.41 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -87.13 -39.26 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.5 mt -64.36 -47.68 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.8 m -36.84 -49.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.35 147.62 21.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.88 51.78 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' SER . 43.2 t -72.03 -46.35 57.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' SER . 97.3 p 34.4 46.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -88.11 108.12 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -88.56 166.79 13.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.47 -128.9 2.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t 67.32 42.32 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -83.63 141.55 31.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.72 -163.13 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 56.37 40.69 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 m -84.63 -49.71 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.2 -49.55 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.08 -52.56 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.768 HD22 HD22 ' A' ' 31' ' ' LEU . 6.1 mp -74.63 -54.88 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.489 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.9 mmt -38.96 -25.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -84.11 -52.52 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -43.34 -56.3 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 38' ' ' ILE . 10.8 mt -57.89 -47.64 82.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 13' ' ' MET . 5.5 m-85 -55.71 -18.28 7.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -99.85 -24.19 14.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 mtt -76.46 -14.96 60.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.97 -10.06 8.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -87.96 109.54 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.8 p -87.92 -43.61 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.28 123.83 2.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' GLN . 46.2 ttt180 -93.92 -70.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' ARG . 14.6 pt20 -34.64 -52.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -52.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' LEU . 75.6 m-20 -37.16 -59.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' ASN . 6.7 mt -34.61 -59.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -44.65 -64.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.74 ' CB ' HG13 ' A' ' 41' ' ' VAL . 3.7 mm? -43.67 -44.16 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.109 HD23 HG21 ' A' ' 41' ' ' VAL . 66.2 mt -59.72 -68.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.64 -16.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -94.32 -32.25 13.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.444 ' CE1' ' CD ' ' A' ' 33' ' ' LYS . 94.8 m-70 -108.96 34.34 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 44.18 39.94 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' HD21 ' A' ' 12' ' ' LEU . 90.0 m-85 60.12 50.09 6.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 38' ' ' ILE . 30.7 m-20 -103.66 79.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HG ' ' A' ' 16' ' ' LEU . 6.0 tp -34.17 -41.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 5.2 mp -52.63 -51.0 62.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 8.5 mt-30 -70.18 -54.28 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.109 HG21 HD23 ' A' ' 31' ' ' LEU . 41.3 t -46.85 -43.81 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 38' ' ' ILE . 86.6 t -68.03 -58.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.414 HG22 ' NE2' ' A' ' 47' ' ' GLN . 35.8 m -48.36 -43.15 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.819 ' OE2' HD11 ' A' ' 48' ' ' LEU . 3.6 tm-20 -66.16 -43.65 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 48' ' ' LEU . 16.0 mt -55.44 -59.05 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.5 mt -56.91 -32.03 65.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' NE2' HG22 ' A' ' 43' ' ' THR . 22.8 mt-30 -62.29 -48.97 77.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.819 HD11 ' OE2' ' A' ' 44' ' ' GLU . 5.3 mt -57.02 -45.21 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.3 t -71.68 110.4 6.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.25 157.86 9.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.37 25.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 m -82.77 153.24 25.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 m -106.45 -48.41 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -168.14 159.15 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -49.52 148.0 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.4 -151.65 7.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.0 m -80.03 83.55 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.896 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 57.9 m -36.87 151.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.17 -114.09 3.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' THR . 1.2 tp-100 -52.45 -40.12 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLN . 86.7 m -35.3 -62.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -50.44 -58.39 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.96 -31.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 36' ' ' TYR . 6.1 mt -90.87 -57.61 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 27' ' ' ASN . 18.3 mtp -44.46 -38.44 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 17' ' ' PHE . . . -60.6 -62.87 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -39.44 -44.75 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 45' ' ' LEU . 13.6 mt -67.24 -38.94 86.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' CYS . 10.3 m-85 -64.22 -23.95 67.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.23 -50.02 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mtm -49.45 -56.51 9.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 159.07 34.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 83.5 m-85 -137.46 109.88 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 9.8 m -93.72 -34.13 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.3 p30 -36.38 96.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' CYS . 29.0 ttt85 -71.94 -67.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -38.55 -45.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 26' ' ' LEU . 6.1 tt -60.8 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HB2' ' CE ' ' A' ' 13' ' ' MET . 45.8 m-20 -41.4 -71.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 13.0 mt -38.91 -59.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -44.57 -49.34 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 41' ' ' VAL . 12.5 mt -63.4 -63.61 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.078 HD23 HG21 ' A' ' 41' ' ' VAL . 41.0 mt -36.15 -64.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -44.33 -35.47 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CE1' ' A' ' 34' ' ' HIS . 1.7 tmtp? -79.33 -37.17 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 84.9 m-70 -99.02 33.22 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 39.38 36.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.489 ' HB3' HD11 ' A' ' 12' ' ' LEU . 86.7 m-85 64.13 50.71 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' LEU . 8.1 m-20 -107.67 81.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.0 tp -33.95 -33.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.5 mp -55.96 -64.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 42.0 mm-40 -60.48 -45.64 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.078 HG21 HD23 ' A' ' 31' ' ' LEU . 63.8 t -54.44 -37.86 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 38' ' ' ILE . 38.4 t -75.01 -55.99 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -50.02 -44.54 51.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.445 ' HG2' HD11 ' A' ' 48' ' ' LEU . 13.6 tt0 -63.89 -49.77 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' A' ' 16' ' ' LEU . 20.2 mt -48.71 -59.05 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 mt -43.85 -39.8 4.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -72.04 -60.65 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' A' ' 44' ' ' GLU . 25.9 mt -39.99 -53.35 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -90.16 112.09 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.81 -174.45 21.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.18 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -64.61 164.46 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.0 p 41.18 42.19 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t 63.13 42.9 6.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.404 . . . . 0.0 110.889 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -68.14 -52.65 32.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.84 85.98 0.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -38.43 131.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -91.46 163.21 14.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.34 -122.5 5.72 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.23 -51.05 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.8 m -45.55 -43.98 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.94 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.71 -56.47 13.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.9 -58.59 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 3.7 mmt -34.67 -61.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.11 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -40.18 -50.89 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.95 -40.03 91.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 22' ' ' CYS . 22.5 m-85 -72.83 -3.68 27.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.34 5.3 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.1 ptp -125.42 -25.41 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.62 -18.7 3.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -88.49 121.54 30.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 25.8 p -114.18 -24.02 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 m-20 -36.17 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' CYS . 63.3 ttt180 -65.13 -72.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -43.65 -48.87 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -54.41 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' LEU . 65.5 m-20 -39.84 -54.73 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.7 mt -37.06 -54.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -50.71 -45.72 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 41' ' ' VAL . 3.7 mm? -66.35 -43.44 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.904 HD23 HG21 ' A' ' 41' ' ' VAL . 49.6 mt -61.74 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.779 ' HE2' HD22 ' A' ' 28' ' ' LEU . 37.2 mttm -56.1 -14.62 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.81 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 74.1 m-70 -115.64 37.89 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 39.19 36.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 66.16 55.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 t-20 -105.92 104.53 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 39' ' ' LEU . 6.8 tp -51.06 -52.11 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.609 ' N ' HG23 ' A' ' 38' ' ' ILE . 5.5 mp -48.67 -59.15 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 12.5 mm100 -57.77 -59.01 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.904 HG21 HD23 ' A' ' 31' ' ' LEU . 60.2 t -43.43 -59.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 96.2 t -56.94 -53.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.3 m -45.77 -46.27 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.86 -54.54 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 42' ' ' VAL . 9.1 mt -37.69 -54.38 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.98 -36.77 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . 36.5 mm-40 -71.2 -50.97 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -49.64 -48.08 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 m -39.14 111.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.48 -167.76 39.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.73 6.39 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.7 m 46.93 42.12 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t -87.17 -59.85 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -91.45 120.86 32.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -60.45 137.9 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.96 50.66 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -137.79 113.99 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -51.38 138.75 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.78 -83.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.467 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 1.7 tp60 -109.37 77.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 76.9 m -101.12 -73.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -37.81 -49.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 8' ' ' GLN . . . -34.76 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.1 mm? -77.93 -62.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.929 ' CE ' HD22 ' A' ' 28' ' ' LEU . 3.0 mmt -38.05 -44.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -55.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.57 ' HB2' HD13 ' A' ' 38' ' ' ILE . 72.1 m-70 -34.28 -58.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 41' ' ' VAL . 10.4 mt -53.5 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -41.91 -29.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.0 -51.07 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.523 ' CE ' HD11 ' A' ' 38' ' ' ILE . 33.7 mtm -51.28 -62.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.3 32.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -126.35 95.93 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.1 m -100.21 45.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -115.51 86.58 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' GLN . 10.9 mtt-85 -59.01 -66.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.591 ' HG3' HD23 ' A' ' 26' ' ' LEU . 8.4 pt20 -34.11 -45.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' HG3' ' A' ' 25' ' ' GLN . 3.4 mm? -74.23 -63.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 82.1 m-20 -37.46 -45.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' CE ' ' A' ' 13' ' ' MET . 2.8 mm? -51.83 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -42.98 -33.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HB3' HG22 ' A' ' 41' ' ' VAL . 20.6 mt -70.15 -38.41 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 41' ' ' VAL . 34.6 mt -67.53 -56.84 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.53 -4.81 9.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -109.36 -29.43 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -109.42 33.34 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 44.08 32.73 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 9' ' ' THR . 75.6 m-85 61.77 52.46 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ILE . 13.7 m-20 -109.92 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.5 tp -37.06 -33.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 38' ' ' ILE . 3.4 mt -58.82 -74.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.72 -45.93 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 31' ' ' LEU . 48.0 t -50.73 -51.22 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 16' ' ' LEU . 32.2 t -69.21 -60.12 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.74 -43.61 8.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.75 -56.18 19.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 32.2 mt -40.7 -61.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -39.19 -36.86 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -78.26 -43.85 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.24 -46.98 84.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 t -53.49 122.72 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.73 83.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -95.99 -48.61 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -76.38 122.91 25.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.6 m -37.14 -46.47 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -90.02 -45.88 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.71 123.16 1.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -102.82 102.75 12.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -154.85 124.38 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.86 -171.64 31.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -91.34 44.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -101.1 -50.22 3.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -55.16 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -36.17 -34.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' ALA . 12.5 mt -82.03 -48.65 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.461 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.5 mmt -43.21 -28.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -85.21 -52.0 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.456 ' CB ' HD13 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -34.45 -44.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.8 mm? -68.32 -71.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -39.17 -37.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -68.12 -62.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.444 ' CE ' HD13 ' A' ' 16' ' ' LEU . 56.2 mtm -44.14 -64.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.87 31.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 89.9 m-85 -123.02 104.97 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.1 m -90.66 48.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -114.99 127.23 55.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -97.66 -61.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 7.3 pm0 -68.38 -29.66 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -64.34 -69.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LEU . 71.2 m-20 -34.19 -60.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD22 ' HE3' ' A' ' 32' ' ' LYS . 9.2 mt -36.5 -49.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -53.13 -46.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' CB ' HG13 ' A' ' 41' ' ' VAL . 23.1 mt -68.79 -43.39 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 41' ' ' VAL . 60.7 mt -61.66 -63.74 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' HD22 ' A' ' 28' ' ' LEU . 77.3 mttt -52.47 -17.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 4.1 tmtm? -96.31 -32.73 12.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 89.2 m-70 -103.91 33.33 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 43.88 35.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' HD11 ' A' ' 12' ' ' LEU . 83.6 m-85 64.84 51.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -108.71 91.17 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.1 tp -41.15 -29.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 38' ' ' ILE . 3.8 mt -61.92 -73.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 88.1 mm-40 -49.22 -51.27 34.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.974 HG21 HD23 ' A' ' 31' ' ' LEU . 96.0 t -45.96 -39.79 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 38' ' ' ILE . 70.7 t -77.35 -57.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' VAL . 100.0 m -35.51 -46.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLN . 11.7 tt0 -68.87 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.778 ' HA ' HD12 ' A' ' 48' ' ' LEU . 16.9 mt -38.62 -38.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.87 -40.19 55.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLU . 46.8 mt-30 -63.77 -46.36 85.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 45' ' ' LEU . 12.3 mt -44.05 -53.91 5.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.4 t -91.0 149.35 21.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.05 173.06 39.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -22.28 32.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.8 m -65.05 -47.12 78.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.4 p -64.82 128.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -125.52 -52.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -96.8 106.55 18.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.57 -78.4 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.9 161.9 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -85.93 140.68 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.41 -154.03 8.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -101.58 42.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.5 m -81.78 -52.02 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.46 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.01 -59.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' MET . 2.5 mp -58.04 -52.72 64.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.513 ' HE1' ' OD1' ' A' ' 27' ' ' ASN . 2.9 mtt -36.75 -41.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.95 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.47 ' O ' ' HE2' ' A' ' 19' ' ' MET . 6.6 m-70 -40.16 -31.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -76.89 -48.28 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' CYS . 10.6 m-85 -59.9 -27.98 67.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 12.2 pt-20 -86.81 -36.72 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.637 ' HE1' HD11 ' A' ' 38' ' ' ILE . 35.5 mtm -67.89 -50.85 53.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 156.74 35.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 31.0 m-85 -151.33 110.35 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 29.7 p -110.21 45.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.21 83.64 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -77.29 -12.53 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD21 HD11 ' A' ' 48' ' ' LEU . 53.3 tp -106.55 -56.78 2.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' HE1' ' A' ' 13' ' ' MET . 44.1 p30 -44.73 -35.54 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.5 mt -44.04 -62.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 24.2 mtp180 -52.07 -34.61 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.675 ' CB ' HG13 ' A' ' 41' ' ' VAL . 75.7 mt -74.06 -32.33 63.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD23 HG21 ' A' ' 41' ' ' VAL . 90.9 mt -75.73 -45.01 38.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -79.95 -4.89 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 3.9 tmtm? -106.67 -47.21 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 92.9 m-70 -90.31 27.87 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 48.49 32.66 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 66.46 47.67 1.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' ILE . 2.6 m-20 -99.87 85.59 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 19' ' ' MET . 10.3 tp -34.03 -36.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' ASN . 5.1 mp -66.19 -61.12 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 69.0 mt-30 -56.84 -44.96 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.675 HG13 ' CB ' ' A' ' 30' ' ' LEU . 91.6 t -55.71 -64.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' HA ' HD23 ' A' ' 45' ' ' LEU . 60.9 t -47.8 -58.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' VAL . 97.5 m -34.2 -38.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLN . 4.8 tp10 -71.47 -54.99 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 mm? -39.78 -40.61 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 mp -70.77 -35.67 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' GLU . 88.0 mm-40 -55.97 -48.24 76.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD11 HD21 ' A' ' 26' ' ' LEU . 20.7 mt -48.71 -41.46 31.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -100.44 171.17 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.69 173.02 13.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.65 20.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 t -100.72 138.77 37.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.6 m -120.22 128.66 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -38.54 136.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -96.86 -39.94 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.27 -53.94 17.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -53.59 -51.74 62.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -43.45 126.03 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.1 178.69 31.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -106.58 41.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 m -58.97 -61.05 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.81 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.52 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -55.85 -45.95 78.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -42.15 -24.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -89.7 -51.44 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CB ' HD13 ' A' ' 38' ' ' ILE . 1.4 m-70 -40.75 -44.99 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.61 -59.49 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -49.21 -32.71 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.94 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 38' ' ' ILE . 31.0 mtm -48.52 -57.0 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.78 36.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -125.34 91.34 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 m -70.47 -37.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.1 p-10 -39.07 110.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 25' ' ' GLN . 2.1 tmt_? -94.4 -51.46 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -52.26 -32.8 38.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 45' ' ' LEU . 4.1 tt -75.9 -56.02 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 28' ' ' LEU . 90.7 m-20 -42.7 -68.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 32' ' ' LYS . 13.0 mt -35.35 -62.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.66 -44.53 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' LYS . 39.3 mt -70.6 -58.79 3.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 70.9 mt -35.67 -63.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.3 mptp? -47.86 -34.92 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.0 tmtm? -77.26 -36.09 54.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 68.5 m-70 -103.46 33.06 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 p-10 37.37 35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 65.82 55.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -107.77 92.72 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.3 tp -48.04 -26.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.616 HD22 HG23 ' A' ' 38' ' ' ILE . 3.4 mm? -68.92 -49.67 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.5 mm100 -78.04 -55.37 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 97.0 t -45.37 -30.35 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 38' ' ' ILE . 32.0 t -80.1 -69.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -40.97 -32.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' OE1' HD11 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -74.78 -42.2 58.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 26' ' ' LEU . 22.3 mt -57.55 -35.15 69.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.95 -17.44 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -83.04 -39.15 21.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.419 HD11 ' OE1' ' A' ' 44' ' ' GLU . 48.3 mt -61.25 -50.14 74.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -67.44 102.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.6 76.49 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -16.16 37.53 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.9 m -81.71 152.01 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 t -140.39 127.25 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -119.09 -46.16 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -100.11 113.11 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.61 132.6 5.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -70.38 134.12 47.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -54.77 156.67 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.32 169.9 12.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -82.93 84.95 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.4 m -92.38 -56.04 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -64.79 -58.29 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -35.21 -40.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD1' HD22 ' A' ' 31' ' ' LEU . 12.7 mt -78.56 -54.84 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE1' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -34.34 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -79.22 -51.5 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' C ' ' HG2' ' A' ' 18' ' ' GLU . 2.0 t-80 -37.56 -36.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.4 mm? -78.36 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -48.55 -25.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 15' ' ' HIS . 6.2 pt-20 -85.56 -26.95 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HD13 ' A' ' 16' ' ' LEU . 39.3 mtm -80.17 -71.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.04 28.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.31 109.78 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.45 51.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.79 88.71 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' GLN . 7.9 ttt180 -60.8 -57.05 14.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 30.0 pt20 -36.48 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 HD21 ' A' ' 45' ' ' LEU . 3.3 tt -79.37 -58.86 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 66.6 m-20 -36.92 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HE2' ' A' ' 32' ' ' LYS . 11.1 mt -50.55 -61.06 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -43.16 -38.19 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' OE1' ' A' ' 44' ' ' GLU . 19.5 mt -73.23 -58.21 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.028 HD23 HG21 ' A' ' 41' ' ' VAL . 89.5 mt -45.09 -55.79 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE2' HD22 ' A' ' 28' ' ' LEU . 1.9 mptp? -54.53 -22.88 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 8.0 tmtt? -89.98 -37.62 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 89.6 m-70 -96.53 30.47 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 40.45 41.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 64.36 54.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -112.78 98.29 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 tp -48.33 -48.34 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.6 mm? -48.11 -69.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HA ' HG22 ' A' ' 43' ' ' THR . 28.3 mt-30 -53.34 -57.5 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.028 HG21 HD23 ' A' ' 31' ' ' LEU . 25.4 t -42.06 -40.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' ILE . 88.6 t -79.61 -69.93 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 40' ' ' GLN . 1.4 t -38.15 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' HD21 ' A' ' 30' ' ' LEU . 4.7 tm-20 -76.76 -47.11 22.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 HD22 ' A' ' 26' ' ' LEU . 19.5 mt -56.69 -27.3 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.27 -19.46 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -74.15 -37.76 63.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.32 -51.07 63.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -121.24 116.4 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 83.27 1.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.33 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -174.63 152.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -71.5 -7.89 50.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -95.62 149.91 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -56.56 -48.4 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.58 137.6 2.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -78.35 88.31 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -157.83 157.57 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.13 83.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -95.28 40.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -80.43 -53.94 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.15 -46.17 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.02 -60.83 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.7 mm? -62.94 -63.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.514 ' HE3' ' HG ' ' A' ' 28' ' ' LEU . 3.4 mmt -34.56 -37.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -65.97 -73.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HB2' HD13 ' A' ' 38' ' ' ILE . 21.0 m-70 -34.47 -36.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 38' ' ' ILE . 8.5 mt -76.73 -49.0 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . 7.0 m-85 -59.57 -31.2 69.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 15' ' ' HIS . 11.8 pt-20 -85.39 -49.27 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.4 mtm -50.0 -56.83 9.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.35 39.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.491 ' CD1' HD13 ' A' ' 45' ' ' LEU . 89.1 m-85 -132.93 100.59 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 23' ' ' ASP . 90.5 m -79.59 -41.59 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.5 p30 -35.27 104.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 25' ' ' GLN . 1.7 tmm_? -89.43 -48.38 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 19.1 pt20 -55.32 -42.91 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 tp -70.83 -54.6 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' LEU . 37.8 m-20 -35.31 -70.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 12.5 mt -37.41 -59.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -45.35 -39.32 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ASN . 26.0 mt -77.16 -28.71 54.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.548 HD23 HG21 ' A' ' 41' ' ' VAL . 53.7 mt -68.45 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 28' ' ' LEU . 1.1 mppt? -48.59 -28.56 3.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' A' ' 34' ' ' HIS . 8.4 tmtm? -80.29 -39.73 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 94.2 m-70 -99.72 30.3 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 42.72 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 63.43 48.96 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -105.1 90.35 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 15' ' ' HIS . 5.4 tp -42.43 -29.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.11 -70.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 61.3 mm-40 -52.76 -53.2 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG21 HD23 ' A' ' 31' ' ' LEU . 97.7 t -43.36 -53.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.97 -53.79 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.6 m -44.59 -43.29 8.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 tt0 -71.19 -60.14 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 48' ' ' LEU . 13.0 mt -34.4 -63.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.9 mt -39.83 -46.77 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 31.6 mt-30 -64.14 -54.07 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 45' ' ' LEU . 48.4 mt -37.47 -59.15 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -109.6 94.4 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.68 146.21 18.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.05 30.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.214 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -143.38 135.42 26.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -79.23 135.14 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -85.69 92.53 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -142.85 126.1 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.32 -126.67 2.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -174.75 165.81 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -43.24 113.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.76 129.06 41.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' THR . 79.9 mt-30 -99.26 -58.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' GLN . 3.9 m -35.25 -58.46 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.04 80.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.96 -46.94 11.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD22 HD22 ' A' ' 31' ' ' LEU . 6.5 mp -76.26 -60.03 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.919 ' CE ' HD22 ' A' ' 28' ' ' LEU . 6.3 mmm -46.22 -29.15 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.79 -30.33 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 4.3 m-70 -68.64 -42.65 77.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt -66.61 -37.69 85.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.77 -20.48 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -89.1 -48.42 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.518 ' HE1' ' HB3' ' A' ' 15' ' ' HIS . 3.0 mpp? -55.26 -62.62 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.9 31.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 45' ' ' LEU . 12.2 m-85 -137.47 119.54 15.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.6 m -126.73 55.64 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 8.0 m-20 -120.93 90.73 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' GLN . 5.8 mmt85 -58.23 -61.88 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 24.6 pt20 -34.01 -54.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD21 HD13 ' A' ' 48' ' ' LEU . 43.9 tp -71.39 -59.96 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 83.4 m-20 -34.42 -55.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' CE ' ' A' ' 13' ' ' MET . 1.3 mm? -46.07 -61.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 28.4 mtp180 -50.32 -41.54 51.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' HIS . 18.8 mt -62.74 -41.17 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 13' ' ' MET . 71.8 mt -64.37 -59.38 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -66.06 -4.7 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tmtp? -108.43 -26.92 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' LEU . 70.6 m-70 -108.8 27.83 9.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 44.6 37.21 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 63.36 45.38 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 38' ' ' ILE . 43.6 t-20 -98.43 78.36 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -34.0 -37.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ASN . 3.5 mt -57.96 -71.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.6 mm-40 -48.15 -50.37 29.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG21 HD23 ' A' ' 31' ' ' LEU . 42.7 t -47.43 -31.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ILE . 87.8 t -80.91 -61.41 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 m -43.31 -36.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' A' ' 48' ' ' LEU . 14.2 tt0 -72.39 -49.94 30.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 21' ' ' PHE . 26.7 mt -48.23 -60.35 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -46.4 -43.5 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.79 -53.74 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 45' ' ' LEU . 9.7 mt -48.85 -44.83 40.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -67.8 -58.49 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.91 148.4 6.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 83.97 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.5 m -94.81 98.83 11.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 42.17 46.32 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -105.83 99.43 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -74.08 -57.11 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.34 106.13 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -148.02 162.17 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 t -66.37 147.8 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.35 -85.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.502 HE21 ' HB2' ' A' ' 11' ' ' ALA . 31.8 tp60 69.74 35.14 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.952 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.3 m -71.51 -53.68 13.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -41.88 -53.13 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB2' HE21 ' A' ' 8' ' ' GLN . . . -35.16 -58.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.3 mm? -65.74 -57.09 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 12.2 mtp -38.23 -41.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -53.99 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ALA . 19.1 m-70 -35.29 -39.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.2 -56.33 7.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -51.98 -36.9 51.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' MET . 9.9 pt-20 -78.67 -38.58 39.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.684 ' HE2' HD11 ' A' ' 38' ' ' ILE . 32.6 mtm -62.5 -65.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.19 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -128.8 97.97 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.7 p -95.46 48.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.41 92.02 2.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.71 -34.71 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -71.33 -19.21 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.3 tp -94.54 -44.66 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.699 HD21 HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -65.95 -46.36 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 13' ' ' MET . 12.2 mt -39.15 -54.68 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.5 ttm105 -48.96 -57.92 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.829 ' CB ' HG13 ' A' ' 41' ' ' VAL . 4.3 mm? -48.05 -40.95 24.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 HG21 ' A' ' 41' ' ' VAL . 71.4 mt -63.4 -70.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -53.69 -16.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -95.85 -29.74 14.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . 92.9 m-70 -113.98 35.22 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 42.36 35.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 63.57 50.09 2.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -104.52 87.3 2.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD11 ' HE2' ' A' ' 19' ' ' MET . 6.1 tp -38.0 -34.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 38' ' ' ILE . 3.6 mt -59.32 -63.59 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -61.12 -52.04 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.829 HG13 ' CB ' ' A' ' 30' ' ' LEU . 88.0 t -45.08 -50.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG2' ' HE1' ' A' ' 19' ' ' MET . 37.9 t -69.22 -56.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.2 m -43.64 -47.83 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.19 -48.07 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.34 -43.65 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.8 mt -72.75 -31.74 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.17 -44.73 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -54.33 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -72.89 138.72 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.15 -93.55 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.78 2.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.24 . . . . 0.0 112.379 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -120.99 107.0 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -53.0 118.75 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.519 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -82.26 -60.94 2.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -103.83 121.83 43.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.96 -107.77 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -82.21 -55.24 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -66.76 -45.83 77.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.13 123.83 24.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -73.22 79.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' TYR . 84.9 m -107.73 -58.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.74 -47.42 20.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.05 -59.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.9 mm? -62.5 -63.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.835 ' HE1' HD22 ' A' ' 28' ' ' LEU . 3.2 mmt -35.36 -38.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.98 -56.04 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 18.0 m-70 -46.22 -33.5 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.4 mm? -73.82 -51.14 17.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.49 -36.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -77.56 -26.21 50.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 15' ' ' HIS . 16.2 mtm -78.95 -66.32 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.14 33.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.7 109.59 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ARG . 24.4 p -86.42 -37.46 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -45.02 91.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.565 ' NH1' HD21 ' A' ' 28' ' ' LEU . 45.5 ttt-85 -77.67 -57.54 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 28.4 pt20 -41.03 -47.98 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.691 HD23 ' C ' ' A' ' 26' ' ' LEU . 4.2 tt -64.52 -55.1 22.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LEU . 84.9 m-20 -36.71 -47.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.835 HD22 ' HE1' ' A' ' 13' ' ' MET . 1.4 mm? -48.44 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' LEU . 27.0 mtp85 -35.62 -47.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 45' ' ' LEU . 12.9 mt -56.84 -46.66 81.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.788 HD23 HG21 ' A' ' 41' ' ' VAL . 65.4 mt -63.9 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -55.36 -14.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -99.98 -31.56 11.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 40' ' ' GLN . 98.6 m-70 -111.26 30.06 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 47.06 34.54 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HG23 ' A' ' 9' ' ' THR . 38.9 m-85 63.62 48.31 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.1 m-20 -98.42 94.17 6.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 12' ' ' LEU . 10.3 tp -40.92 -28.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.77 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 15.4 mm100 -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.788 HG21 HD23 ' A' ' 31' ' ' LEU . 75.1 t -59.38 -46.93 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' HD13 ' A' ' 46' ' ' LEU . 30.8 t -73.94 -54.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.7 m -44.06 -46.12 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLN . 5.4 tp10 -68.28 -59.5 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 27.2 mt -36.47 -52.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 42' ' ' VAL . 11.1 mp -56.89 -39.46 74.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.9 mt-30 -67.79 -54.18 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.6 mt -46.35 -53.83 10.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.0 t -120.55 111.06 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.83 -159.38 21.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.03 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.322 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -97.4 135.27 39.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 p -108.8 42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -109.28 80.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -67.95 125.47 26.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.83 123.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -76.8 116.74 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -120.09 124.33 45.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.33 164.18 22.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.55 37.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.391 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m -44.9 -69.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.87 -61.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.09 -69.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.2 -59.75 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.609 ' HG2' HD11 ' A' ' 31' ' ' LEU . 9.7 mtp -41.71 -68.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . . . -34.74 -45.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -48.23 -48.08 35.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.677 HD13 ' CE ' ' A' ' 19' ' ' MET . 3.5 mm? -61.9 -41.79 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.63 -34.94 76.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.06 -57.37 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.677 ' CE ' HD13 ' A' ' 16' ' ' LEU . 50.8 mtm -47.74 -63.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.46 32.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -127.36 98.76 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.8 m -94.38 51.67 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.73 85.14 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.54 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 2.2 pp0? -61.82 -53.36 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ASN . 36.0 tp -60.91 -61.48 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LEU . 87.9 m-20 -34.35 -61.01 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASN . 12.1 mt -37.27 -64.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 15.4 mtp-105 -43.99 -45.23 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 57.4 mt -66.04 -61.12 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.808 HD23 HG21 ' A' ' 41' ' ' VAL . 85.1 mt -37.69 -65.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -56.09 -24.78 42.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tmtp? -83.96 -25.76 29.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 40' ' ' GLN . 80.5 m-70 -112.34 24.65 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.58 41.17 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 61.82 49.7 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -108.31 98.41 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.621 HG23 ' N ' ' A' ' 39' ' ' LEU . 5.7 tp -50.76 -52.43 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.621 ' N ' HG23 ' A' ' 38' ' ' ILE . 2.0 mm? -45.54 -50.19 13.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB3' ' ND1' ' A' ' 34' ' ' HIS . 11.5 mm100 -71.49 -64.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 HD23 ' A' ' 31' ' ' LEU . 42.9 t -35.26 -35.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' GLN . 61.3 t -81.9 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' NE2' ' A' ' 47' ' ' GLN . 50.3 m -42.06 -35.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.31 -51.56 17.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 48' ' ' LEU . 32.2 mt -45.63 -51.29 12.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 mt -58.02 -40.83 81.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.605 ' NE2' HG22 ' A' ' 43' ' ' THR . 48.7 mt-30 -64.92 -46.56 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 45' ' ' LEU . 10.9 mt -60.64 -56.28 23.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -158.3 140.57 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.55 -158.18 30.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -44.68 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -63.58 176.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 p -121.13 160.44 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -69.07 170.78 9.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -100.77 132.12 46.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.89 -100.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -128.44 139.67 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -154.08 123.11 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.49 -148.68 16.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -121.19 40.3 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -68.77 -45.31 71.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.46 -46.15 76.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.82 -65.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.5 mm? -61.67 -56.59 18.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 28' ' ' LEU . 2.8 mmt -37.17 -40.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -63.48 -63.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ALA . 2.4 m-70 -35.72 -59.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD13 ' HE3' ' A' ' 19' ' ' MET . 3.9 mm? -47.75 -57.98 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -52.44 -36.57 54.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.16 -60.47 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.654 ' HE1' HD11 ' A' ' 38' ' ' ILE . 25.7 mtm -45.63 -67.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.25 34.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -119.04 100.7 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.68 33.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.59 80.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 7.6 ptt-85 -74.32 -15.81 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.44 -15.61 57.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 tt -102.87 -56.8 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 42.4 p-10 -43.8 -37.93 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 6.9 mt -45.07 -69.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 33.0 mtm180 -44.26 -42.89 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.874 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.5 mt -61.88 -44.24 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.929 HD23 HG21 ' A' ' 41' ' ' VAL . 93.9 mt -62.9 -71.69 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -48.1 -23.87 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 7.4 tmtm? -86.21 -36.34 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -103.3 31.67 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 t30 44.61 37.12 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 64.8 54.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -105.6 94.79 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD11 ' HE1' ' A' ' 19' ' ' MET . 2.4 tp -44.48 -45.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' HG23 ' A' ' 38' ' ' ILE . 3.4 mt -51.99 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -50.42 -51.03 50.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.929 HG21 HD23 ' A' ' 31' ' ' LEU . 22.9 t -52.05 -69.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.47 -58.33 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -46.0 -39.16 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 30' ' ' LEU . 21.8 tp10 -70.32 -60.78 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 10.5 mt -35.11 -56.84 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.43 -43.75 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 77.4 mm-40 -55.94 -55.38 33.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' H ' ' CD2' ' A' ' 48' ' ' LEU . 3.7 mm? -36.23 -53.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 t -39.35 -57.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.75 176.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 103.89 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -141.07 137.6 32.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -90.5 157.59 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -74.62 111.87 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -113.86 126.84 55.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.91 78.91 0.6 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -110.74 42.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -63.33 121.97 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -113.26 5.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -120.43 82.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 13' ' ' MET . 23.3 m -109.54 -49.96 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.06 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.1 mt -56.04 -53.51 56.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.497 ' HG3' HG22 ' A' ' 9' ' ' THR . 6.6 mmt -40.92 -34.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' HIS . . . -87.09 -53.51 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -38.24 -45.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.754 HD13 ' HE3' ' A' ' 19' ' ' MET . 4.5 mm? -60.49 -46.83 88.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.48 -38.26 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 15' ' ' HIS . 9.4 pt-20 -83.17 -25.53 31.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.754 ' HE3' HD13 ' A' ' 16' ' ' LEU . 20.5 mtm -73.52 -65.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.42 37.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 85.0 m-85 -142.75 120.02 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.1 t -84.38 -71.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' CYS . 17.8 m-20 -35.47 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' CYS . 15.2 ptt180 -77.21 -45.15 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -42.55 -44.46 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 45' ' ' LEU . 6.4 tt -59.41 -55.07 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' LEU . 19.6 m-20 -44.32 -64.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD22 ' HE2' ' A' ' 32' ' ' LYS . 12.5 mt -34.21 -66.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -38.77 -50.97 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' HIS . 49.9 mt -64.69 -40.93 96.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.018 HD23 HG21 ' A' ' 41' ' ' VAL . 69.4 mt -62.11 -68.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.619 ' HE2' HD22 ' A' ' 28' ' ' LEU . 28.4 mttm -53.64 -15.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' CD ' ' CE1' ' A' ' 34' ' ' HIS . 5.0 tmtm? -99.63 -26.23 14.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LEU . 99.2 m-70 -117.48 40.76 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 37' ' ' ASN . 7.2 p-10 41.53 53.5 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 23.2 m-85 34.26 43.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 41' ' ' VAL . 52.4 p-10 -87.99 75.81 8.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.494 HD11 ' HE1' ' A' ' 19' ' ' MET . 5.7 tp -33.9 -39.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -46.39 -64.99 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -67.16 -61.15 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.018 HG21 HD23 ' A' ' 31' ' ' LEU . 86.3 t -37.14 -34.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 t -83.38 -60.09 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.413 ' HA ' HD12 ' A' ' 46' ' ' LEU . 96.6 m -45.65 -37.96 6.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.19 -56.83 5.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' A' ' 48' ' ' LEU . 22.6 mt -42.73 -53.94 4.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 43' ' ' THR . 14.7 mt -47.72 -46.29 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -63.85 -23.69 67.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 45' ' ' LEU . 6.7 mt -92.37 46.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -166.71 147.62 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.5 -65.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.86 8.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -39.16 -54.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -44.84 103.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 0 0 . 1 stop_ save_