data_2nao_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 2nao _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.739 0.304 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.18 115.61 20.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -113.55 96.05 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -102.31 102.15 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -160.98 143.52 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.22 153.21 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 65.04 -171.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.77 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.33 -69.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -178.85 123.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.85 -178.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.87 1.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -140.92 131.68 25.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.25 83.03 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 65.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.77 35.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.71 107.56 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.55 138.1 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -141.57 87.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.74 132.84 4.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.86 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.43 41.53 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -100.71 88.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.53 94.68 2.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.69 115.01 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -177.04 123.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.71 126.56 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.87 130.15 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.3 115.32 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -113.54 95.44 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -103.22 101.81 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.1 142.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.14 152.22 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 64.58 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.66 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -113.33 -68.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.23 123.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.51 -178.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.09 1.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.6 131.28 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.91 83.06 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.96 34.48 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.07 107.33 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.64 137.71 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.44 86.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.4 132.93 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 137.78 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.72 41.36 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.18 88.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.3 95.35 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.83 114.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -177.47 123.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.53 126.38 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.89 130.17 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.736 0.303 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.28 114.92 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.68 93.94 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -104.42 101.91 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.7 143.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.4 152.66 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 64.25 -173.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.78 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.88 -68.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.18 123.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.57 -178.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.07 1.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -141.85 131.27 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.809 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.08 82.6 3.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.55 66.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.59 33.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 107.81 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -136.48 137.89 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 tt -144.06 85.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.18 132.53 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.14 138.09 37.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.61 40.97 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -101.65 88.48 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.62 95.03 2.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.76 114.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -177.52 123.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.56 126.66 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.73 130.17 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.32 114.99 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -113.54 95.82 5.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.36 102.08 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.22 143.19 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.68 153.58 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 65.29 -171.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.64 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -112.43 -69.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.54 123.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 m -109.19 -178.42 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.57 -68.38 1.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -140.79 131.59 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.74 83.16 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.29 65.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.93 35.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 107.38 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.64 138.23 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -141.38 87.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.14 132.56 4.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.58 137.37 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.75 41.8 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.94 88.51 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 94.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.48 115.07 1.83 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -176.84 123.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.71 126.46 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.9 130.1 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.748 0.308 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -125.69 114.82 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -113.94 95.64 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.53 102.07 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.93 143.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.96 152.21 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.52 -172.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.58 -45.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.2 -68.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.17 123.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.54 -178.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.65 -69.04 1.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.57 131.36 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 83.09 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 66.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.61 34.66 0.69 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.92 107.35 11.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.51 137.72 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -142.05 86.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 132.38 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.85 137.83 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.89 41.16 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.19 88.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.32 95.16 2.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.9 114.35 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -177.5 123.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.66 126.54 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.93 130.11 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.26 -71.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -113.82 92.97 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.59 101.81 11.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 p -160.48 143.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.21 152.56 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 64.28 -173.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.84 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -113.79 -68.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -179.21 123.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 m -109.6 -178.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.44 -69.06 1.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.86 131.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.04 82.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.36 107.8 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -136.58 138.02 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -143.95 86.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 132.7 4.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.19 137.86 37.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.06 41.28 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -101.57 88.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 95.37 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.78 114.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -177.49 123.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.53 126.55 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.87 130.21 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.775 0.321 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.51 103.32 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.3 113.1 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.21 96.75 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -132.84 -171.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.44 -55.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.09 137.49 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.25 33.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.84 -169.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.75 95.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.44 148.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.75 -111.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 140.8 39.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.87 97.84 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 111.0 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.21 13.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.39 110.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 pp -133.47 131.8 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tt -150.22 88.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.17 127.18 2.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.54 134.17 55.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.38 90.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -149.37 143.79 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.49 -127.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 174.91 30.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 m -148.73 142.34 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.04 111.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -130.05 131.17 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.761 0.315 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.54 103.29 13.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.19 112.58 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.75 96.54 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 m -132.93 -171.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.44 -55.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -111.92 137.37 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.22 32.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.74 -169.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -107.43 148.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.96 -111.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 140.03 40.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.0 98.83 10.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 111.25 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 44.18 14.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.56 109.21 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 pp -133.34 131.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.64 88.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.82 127.24 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.69 134.18 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.13 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.2 143.84 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.84 -128.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 174.52 30.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 m -148.59 141.86 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -137.71 111.99 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mm -129.57 131.19 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.721 0.296 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -102.63 103.25 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.27 112.49 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.83 96.42 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.2 m -133.15 -171.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.63 -54.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -111.94 137.2 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.64 -169.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.36 148.51 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.97 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 140.19 40.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.04 98.83 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.24 111.0 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.97 42.97 18.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.75 108.61 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -133.27 132.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.94 88.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.66 127.06 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.76 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.19 90.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -149.19 144.1 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 -128.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 174.24 29.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -148.85 142.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 t -137.81 111.87 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 mm -130.03 131.22 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.5 13.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.43 96.53 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 m -132.9 -171.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.52 -54.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -112.01 137.24 50.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 33.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -180.0 -169.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 94.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 p -107.54 148.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.72 -111.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.97 140.75 39.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.55 97.98 10.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 111.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.68 44.51 12.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.55 109.97 21.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.42 ' HA ' HG13 ' E' ' 31' ' ' ILE . 2.1 pp -133.45 131.67 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tt -150.07 88.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.93 127.21 2.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.37 133.83 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.35 90.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.36 143.76 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.26 -128.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.82 175.0 30.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.2 m -148.57 142.28 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.1 t -137.68 111.72 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -130.1 131.07 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.7 m80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.773 0.321 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.49 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -111.13 112.74 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.48 96.77 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.64 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.3 -55.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -111.97 137.4 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 32.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -169.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -107.46 148.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.99 -111.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 139.93 40.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.91 98.82 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.26 111.2 15.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 44.16 14.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.47 109.26 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' D' ' 31' ' ' ILE . 2.1 pp -133.32 131.82 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.59 88.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.62 127.14 2.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.54 134.1 55.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.07 90.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -149.2 143.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.89 -128.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.02 174.62 30.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -148.5 141.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -137.68 111.91 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -129.65 131.19 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.99 -46.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.57 103.41 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.22 112.6 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.65 96.59 5.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 10.2 m -132.94 -172.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.61 -54.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -111.93 137.12 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.56 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 -169.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.89 95.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.32 148.46 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.92 -111.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.17 98.86 10.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.28 110.95 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.04 42.99 18.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.86 108.73 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -133.33 132.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.99 88.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.7 127.11 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.77 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.31 90.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.0 t -149.23 143.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.8 -128.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.45 174.36 29.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.79 142.01 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -137.79 111.86 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mm -130.07 131.19 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.0 114.3 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 97.04 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -102.81 105.82 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 p -160.32 135.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.83 150.31 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 66.75 120.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 -33.93 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -72.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.72 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -127.67 -178.69 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -75.46 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.02 127.72 49.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.08 91.05 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -108.13 88.21 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.08 33.3 4.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.1 106.61 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 111.084 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.68 137.16 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tt -144.83 86.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.48 -119.53 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.63 113.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 63.79 34.08 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.65 132.77 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.85 -103.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.12 164.15 22.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -177.47 121.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.01 130.41 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -134.03 127.46 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.1 114.49 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.39 96.57 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.22 105.76 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -158.8 135.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.57 149.78 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 66.37 119.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -34.13 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.62 -71.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.68 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.91 -178.89 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -75.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.84 127.16 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.11 91.12 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.43 88.59 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.59 5.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.53 107.06 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.35 137.73 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.89 85.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.23 -120.22 2.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.81 113.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.09 33.63 11.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.37 133.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.69 -103.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.73 163.61 21.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -177.89 121.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.77 130.66 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.69 127.41 52.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.762 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.713 0.292 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.02 114.69 26.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 95.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.81 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.6 135.68 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.56 150.27 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.21 117.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.3 -34.82 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -70.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.4 137.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -127.87 -179.05 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.72 -75.36 1.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.11 127.09 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 90.4 7.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.85 89.03 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.09 31.67 5.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.87 107.8 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.14 138.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -145.73 85.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.95 -120.51 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 112.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.04 34.26 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.66 133.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -104.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 163.55 21.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -177.94 121.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.74 130.65 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.96 127.35 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.74 0.305 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.16 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 96.89 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -102.92 105.44 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -160.49 135.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.44 150.67 21.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 66.96 120.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 -33.6 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.67 -72.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 179.92 137.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -127.78 -179.03 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.5 -74.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -122.93 127.43 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.68 91.13 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.48 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.29 33.29 4.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 106.44 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.67 137.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tt -145.11 86.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 -119.22 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.41 113.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.24 34.03 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.55 132.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.99 -103.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 164.18 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -177.22 121.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.98 130.33 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.98 127.5 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.801 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.733 0.302 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.27 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 96.61 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.42 105.64 15.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -158.69 135.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.49 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.42 119.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 -33.93 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.8 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 m -127.98 -178.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.58 -75.49 1.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.82 127.26 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.02 91.13 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.7 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.4 32.67 5.11 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.16 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.45 137.62 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 85.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 -119.97 2.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.68 113.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 63.85 34.17 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.44 133.45 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -103.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.57 21.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -177.84 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.82 130.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.82 127.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.758 0.314 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -148.39 -74.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.88 114.54 26.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 95.51 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.99 106.35 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -158.57 135.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.51 150.3 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 66.21 117.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.25 -34.78 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.38 -70.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.46 137.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.91 -179.06 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.7 -75.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.07 127.13 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.14 90.47 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.93 89.0 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.06 31.71 5.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.84 107.84 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.18 138.39 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.68 85.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 -120.56 2.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 113.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.07 34.23 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.64 133.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.44 -104.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.7 163.62 21.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -177.98 121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.76 130.71 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.92 127.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.705 0.288 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.6 98.24 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 115.71 23.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -112.95 106.65 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.85 -178.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.31 -37.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -173.92 162.55 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.07 68.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.14 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.5 55.54 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.61 145.46 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -87.39 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -131.54 127.96 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.822 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -95.44 83.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 58.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.88 34.15 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.47 114.19 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.43 135.68 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tt -148.64 83.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.1 143.55 15.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 123.89 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.64 50.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -91.25 143.47 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.34 -139.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.86 174.89 42.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.26 127.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.28 130.38 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.42 136.18 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.69 98.07 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 115.75 23.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -112.91 106.79 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.16 -178.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.58 -38.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.34 163.07 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.01 68.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.42 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.47 56.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.33 145.65 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.08 -87.38 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -132.33 126.63 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -95.81 84.63 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.16 59.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.7 32.9 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.83 113.95 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.83 136.32 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -149.01 82.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.43 143.68 15.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 124.16 28.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 tmm? 64.14 50.54 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -90.99 143.27 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.18 -139.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.03 174.72 43.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.31 127.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.3 t -121.74 130.72 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.24 136.03 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.76 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.68 98.73 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.81 115.33 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.66 105.98 13.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -140.28 -177.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.56 -38.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -173.75 163.45 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.29 67.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.96 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.58 56.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.86 146.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.95 -87.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.48 126.42 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -96.35 85.01 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.81 59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.43 31.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.54 113.87 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.68 137.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -150.04 82.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.0 142.81 14.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 124.23 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.0 tmm? 64.68 50.36 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -91.79 143.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.22 -139.76 1.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.32 174.83 43.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.36 127.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.36 131.1 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.12 136.17 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.795 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.711 0.291 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.67 98.12 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.82 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -112.99 106.9 15.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.64 -178.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.29 -37.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -173.72 162.55 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 68.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.08 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.57 55.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.85 145.48 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.29 -87.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -131.51 127.64 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -94.96 83.69 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.99 59.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.17 34.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 113.96 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.39 135.6 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tt -148.96 84.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.71 143.81 15.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.12 123.29 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.44 50.89 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.47 143.6 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 -139.72 1.86 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.0 175.08 42.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -178.03 127.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -122.2 130.42 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.61 136.24 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.774 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.64 98.0 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.62 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -112.88 107.03 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 m -139.89 -178.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.63 -38.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.43 163.03 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.17 68.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.4 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.27 56.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.43 145.56 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.14 -87.4 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.32 126.68 33.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -95.74 84.44 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.13 59.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.7 32.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.78 113.97 18.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.83 136.27 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.9 83.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.0 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.95 124.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.05 50.65 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.04 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.21 -139.62 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 174.81 43.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.21 127.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.82 130.64 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.34 136.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -76.91 -38.32 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.76 98.45 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.89 106.14 14.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.04 -177.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.49 -38.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -173.85 163.37 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.38 67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.98 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.65 56.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.95 146.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -87.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -132.5 126.41 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -96.15 84.82 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.72 59.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.42 31.72 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.56 113.76 18.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.62 137.37 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -149.91 82.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.76 143.2 14.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 124.09 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.25 50.62 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -91.66 143.97 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -139.8 1.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.17 174.89 43.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -178.3 127.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.64 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 136.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 104.28 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.18 117.23 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.05 106.29 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -138.02 160.3 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -119.46 -50.19 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -106.78 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.54 146.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 51.42 72.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.3 p -117.77 138.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.46 -122.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -102.36 140.22 36.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -100.26 82.61 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -104.98 84.78 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.77 31.26 4.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 113.45 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -139.37 135.93 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.8 80.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 137.52 9.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 128.7 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.58 46.9 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -94.44 144.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.61 -158.46 15.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.49 166.53 2.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.34 141.83 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.32 109.36 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mm -134.14 123.23 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.762 0.315 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.12 104.11 16.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.76 116.92 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.46 105.57 12.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -138.48 160.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -119.79 -50.78 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -106.26 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.84 146.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 51.11 73.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.34 137.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.8 -121.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -102.79 139.28 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -100.29 83.44 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.47 85.08 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.25 30.55 5.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.66 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.56 135.96 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 tt -142.8 80.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.42 137.67 9.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.68 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.57 46.81 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.36 144.39 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.32 -158.67 14.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.51 166.19 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.62 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.02 109.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mm -133.67 123.5 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.756 0.312 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 104.6 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 117.02 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.92 104.81 11.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.99 160.33 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -120.59 -50.12 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -105.28 -173.21 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.53 -45.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.84 145.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.92 73.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.15 137.69 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.73 -121.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -102.93 139.03 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.83 82.78 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.89 85.53 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.3 5.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.63 112.86 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -140.23 135.94 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 tt -144.13 79.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 137.91 9.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.96 47.07 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.97 144.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -158.74 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 166.39 2.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.3 141.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -133.44 109.56 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -134.01 123.36 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.16 104.48 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 117.4 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.81 106.67 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.94 160.37 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -118.93 -49.95 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -106.58 -172.24 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.5 -45.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.67 147.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 51.52 71.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.24 137.87 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -121.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -102.48 140.18 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.67 82.58 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -105.03 84.94 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.87 31.26 4.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 113.78 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -139.43 136.0 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.59 80.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.42 137.46 9.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.438 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.2 128.53 33.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.43 47.13 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 96.6 t -94.61 144.25 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.56 -158.32 14.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.42 166.49 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.94 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.08 109.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mm -134.02 123.25 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.05 104.27 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 116.74 25.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.73 105.89 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.16 160.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -119.44 -51.09 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.35 -172.55 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.1 -44.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.81 146.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 51.08 72.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.35 137.75 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -121.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -102.85 139.4 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.11 83.35 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.48 84.94 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.32 30.56 4.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.57 113.08 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.57 136.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 tt -142.5 80.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.36 137.57 9.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.64 33.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.2 47.04 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -94.38 144.57 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.24 -158.61 13.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.61 166.38 2.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.98 109.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 18.6 mm -133.86 123.45 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -54.42 -37.92 65.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.0 104.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 116.43 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -116.26 104.78 11.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -139.71 160.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -120.37 -50.36 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -105.42 -173.25 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.62 -45.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.85 145.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.88 73.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.19 137.8 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.68 -121.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -103.01 139.16 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.71 82.75 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.9 85.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.17 29.34 5.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.75 113.0 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -140.12 136.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.98 79.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.93 138.05 9.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.54 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.51 47.08 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -94.66 144.41 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.57 -158.74 15.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.79 166.43 2.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.32 141.74 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 39.0 t -133.25 109.4 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -134.0 123.31 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.719 0.295 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 103.83 12.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.38 96.56 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.41 175.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.3 -41.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -129.8 141.51 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.0 33.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.12 53.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.39 118.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.31 143.76 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.86 -115.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.83 136.51 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.15 89.12 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.17 69.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.23 53.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.1 114.53 27.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -138.23 134.79 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -141.38 84.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.09 155.13 23.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.42 126.36 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.45 36.95 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.15 148.02 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.63 -147.76 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.24 166.01 51.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -150.22 141.7 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.22 123.58 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.42 136.53 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.02 110.84 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.22 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.14 96.37 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -139.6 175.41 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.61 -41.78 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.76 33.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.91 54.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.12 119.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.15 143.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.58 -114.7 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.31 135.45 46.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -100.66 89.47 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.76 70.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.52 53.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.0 113.73 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.94 134.78 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -141.73 83.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.8 23.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.41 126.39 49.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.56 36.97 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 148.28 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.44 -147.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.42 165.95 50.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 99.1 t -150.31 141.75 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.04 123.75 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.4 136.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 m170 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.81 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.75 103.37 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.12 96.27 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.59 175.02 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.76 -41.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -129.68 140.91 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.17 32.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.45 54.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.07 119.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.18 142.97 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.188 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -113.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.44 134.44 48.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.9 0.381 . . . . 0.0 110.817 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -101.18 88.62 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.74 70.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.62 52.64 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.15 113.57 26.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -138.42 135.45 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -142.76 83.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.61 154.62 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 126.96 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.99 36.87 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.94 148.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 -147.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.19 50.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 99.1 t -150.26 141.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.72 123.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.59 136.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.749 0.309 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.0 110.56 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 104.03 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.4 96.63 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.18 175.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.27 -41.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -129.67 141.71 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.06 34.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.97 53.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.18 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.64 143.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 -114.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.95 136.37 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.83 89.08 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.15 70.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.33 53.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.52 114.47 27.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.97 134.65 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -141.32 84.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.85 155.21 23.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.28 126.05 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.64 37.15 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.48 148.03 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.8 -147.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.51 166.0 50.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.14 123.71 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.34 136.62 58.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -101.97 110.95 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.28 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -105.18 96.56 6.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -139.59 175.45 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -41.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -130.18 141.44 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.68 33.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.78 54.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 119.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.24 143.82 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.38 -114.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.32 135.82 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.67 89.48 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.83 70.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.5 53.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.94 113.82 27.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.708 0.29 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.96 134.7 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -141.58 83.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.94 154.87 23.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 126.35 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.51 37.07 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.36 148.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.6 -147.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.05 50.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.528 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.23 141.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.071 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.98 123.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.51 136.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.827 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -142.49 -56.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.11 110.76 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.82 103.32 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.06 96.36 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 m -139.53 175.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.65 -42.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.7 140.96 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.09 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.47 54.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.05 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -139.37 143.08 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.68 -113.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.38 134.67 48.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.2 88.71 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.79 70.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 52.53 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.12 113.51 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -138.43 135.46 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -142.53 83.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.47 154.62 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.97 126.82 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.97 36.96 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.828 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.92 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.25 -147.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 166.11 50.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.18 142.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.89 123.72 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.53 136.74 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.24 101.77 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.04 108.87 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -109.19 105.83 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.68 176.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.21 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -123.43 -166.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.81 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -142.07 -165.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.56 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.86 -34.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.95 -102.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -131.24 131.55 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -95.19 81.86 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.34 69.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.62 35.69 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.23 115.32 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.426 ' HA ' HG13 ' B' ' 31' ' ' ILE . 2.0 pp -134.74 131.35 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 tt -142.48 85.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.95 131.89 6.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 33.03 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.87 35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.77 143.98 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.59 62.84 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.15 142.97 5.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.39 131.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.29 124.97 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mm -127.72 129.58 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.76 101.9 12.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.72 108.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.4 105.41 14.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.35 176.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.23 -40.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -123.44 -167.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.0 -164.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.52 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.76 -34.84 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.33 -103.43 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.98 130.08 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.21 83.27 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 69.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.41 35.55 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.94 113.9 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 0.0 111.077 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.426 HG13 ' HA ' ' A' ' 31' ' ' ILE . 2.0 pp -134.97 130.97 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tt -142.27 85.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.85 132.35 7.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.13 32.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.55 35.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.55 144.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.66 62.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.88 143.14 5.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -177.43 132.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -131.9 125.22 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.8 mm -127.37 129.75 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.739 0.304 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 101.56 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.85 108.7 16.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.46 105.17 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.14 176.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.1 -39.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.72 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.67 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.38 -164.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.63 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.24 -34.74 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.96 -103.36 0.89 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.83 129.74 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.09 83.1 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 69.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.67 33.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.22 112.98 24.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.76 132.03 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tt -142.25 85.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.09 131.57 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.64 32.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.94 35.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.94 144.33 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.62 63.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.02 142.8 5.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -177.79 131.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.24 125.11 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mm -127.78 129.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.096 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.761 0.315 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.41 101.88 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -116.71 109.02 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.28 105.99 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.67 176.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.24 -39.64 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.21 -167.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.79 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -141.75 -165.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 100.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -106.93 -34.4 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.42 -102.5 0.83 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.14 131.49 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 81.87 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.76 69.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.74 35.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 115.75 28.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.401 ' HA ' HG13 ' E' ' 31' ' ' ILE . 2.0 pp -134.48 131.44 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tt -142.16 86.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.43 132.47 6.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 33.02 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.38 35.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.24 143.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.87 62.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.19 143.32 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -177.02 132.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.01 124.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.88 129.47 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.837 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 80.2 m80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.713 0.292 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.35 101.67 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.86 108.28 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.68 105.68 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.17 176.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.18 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -123.63 -167.34 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.16 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -142.96 -164.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.38 99.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 10.1 p -106.83 -34.79 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -103.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.06 130.24 42.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.25 83.22 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.39 35.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.79 114.16 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.401 HG13 ' HA ' ' D' ' 31' ' ' ILE . 2.0 pp -134.93 130.94 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tt -141.94 86.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.75 132.36 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.08 32.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.47 35.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.63 144.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.71 62.8 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 142.82 5.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -177.68 131.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.11 125.16 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 22.8 mm -127.52 129.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.36 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -142.83 -51.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.52 101.03 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.43 108.16 15.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.96 105.02 14.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.94 176.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.05 -39.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -123.7 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.71 -33.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.39 -164.6 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.4 -34.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 -103.34 0.88 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -130.93 129.69 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.05 83.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 69.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.54 34.24 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.16 112.98 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.83 132.13 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tt -141.93 85.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.02 131.67 6.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 33.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.0 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.92 144.21 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.43 62.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.97 142.89 5.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -177.55 131.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.37 124.87 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 22.9 mm -127.7 129.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -113.26 114.69 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -108.58 90.91 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.37 96.89 7.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -142.02 159.4 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.26 147.29 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 67.51 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.37 27.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.6 -167.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.08 87.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG11 HG21 ' B' ' 24' ' ' VAL . 1.4 p -102.55 152.9 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.63 -117.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -104.41 147.77 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.15 81.45 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.83 71.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.44 33.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.01 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.13 133.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.81 86.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.18 132.51 3.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 148.04 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 64.8 mmm 63.07 35.57 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.35 130.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.37 118.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.8 111.44 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.22 133.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.39 117.35 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mm -114.99 124.81 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -114.17 114.27 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -109.4 89.0 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mp -102.23 96.84 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.11 159.55 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 146.54 50.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 67.14 142.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.83 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.84 -167.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.53 87.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -102.41 152.03 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.7 -117.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -105.14 146.09 29.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -93.22 82.35 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 71.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.74 33.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.89 100.36 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.63 133.65 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -144.52 86.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.04 132.29 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.66 148.24 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.4 mmm 62.92 35.19 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -103.7 130.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.44 119.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.438 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 111.18 3.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.49 132.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.21 117.53 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.6 mm -114.85 124.52 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -112.87 114.85 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.9 87.47 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.93 98.13 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -140.65 159.32 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.16 145.73 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 66.52 141.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.96 26.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -167.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.39 87.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.92 152.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -117.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 p -105.96 145.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.12 81.3 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.18 71.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 31.82 1.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.75 100.52 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -129.57 134.2 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tt -144.87 85.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.12 131.83 3.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 147.84 32.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 mmm 63.31 35.31 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.86 130.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 118.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 111.16 3.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -177.55 133.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.19 117.31 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mm -115.12 124.59 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.8 p80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -113.02 114.61 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -108.41 91.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -99.87 96.45 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.12 159.48 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 68.06 143.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.29 27.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.02 -168.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.35 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.78 152.45 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -117.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.2 p -104.36 147.77 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -92.52 81.29 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.28 72.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.57 33.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.29 101.18 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -127.63 133.73 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.44 86.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.34 132.18 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 148.09 33.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mmm 63.27 35.36 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 95.3 t -103.68 130.21 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.3 118.5 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 111.55 3.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.07 133.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.32 117.41 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 25.4 mm -115.04 124.64 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -113.15 114.25 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -109.16 89.55 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.68 96.81 7.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.24 159.66 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.09 146.91 50.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 67.27 142.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.84 26.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.05 -167.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.91 87.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.66 152.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.47 -117.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -105.11 146.63 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.04 82.17 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.12 71.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.63 33.17 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.97 100.5 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.37 133.39 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -144.07 86.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.09 132.42 3.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.59 147.92 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 67.0 mmm 63.1 35.35 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.44 130.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.35 118.91 1.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 111.16 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.55 133.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.33 117.44 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mm -114.91 124.73 71.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.95 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -112.57 114.86 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.72 87.86 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.54 97.74 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.87 159.49 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.06 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 66.7 141.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.05 26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.6 -167.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -66.69 87.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.1 152.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.74 -117.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -105.84 145.95 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -92.87 81.29 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.48 71.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 32.09 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.76 100.43 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -129.5 134.32 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -144.71 86.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.24 131.97 3.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.87 147.88 32.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 64.8 mmm 63.39 35.19 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.53 130.39 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.31 119.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.0 111.11 3.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -177.52 133.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.27 117.26 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 25.4 mm -115.1 124.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.809 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.67 101.74 11.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.83 119.19 35.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.46 97.93 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.0 -171.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.33 -41.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -120.04 141.06 50.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.97 60.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.5 81.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.96 147.0 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -93.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.69 130.54 56.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 86.39 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.8 62.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.26 47.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 107.8 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HA ' HG13 ' B' ' 31' ' ' ILE . 1.9 pp -133.91 132.26 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.417 ' O ' HG12 ' A' ' 32' ' ' ILE . 15.0 tt -153.75 38.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.43 109.38 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -52.73 135.1 35.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.65 84.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.81 140.78 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.34 -112.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.96 134.33 8.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.64 149.9 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.15 99.21 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 mm -98.95 125.97 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.748 0.309 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 101.3 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.36 118.73 34.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.36 97.34 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.58 -171.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.41 -42.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -120.14 141.04 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.92 -75.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.42 82.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.72 147.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -92.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.26 129.88 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.04 86.8 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.49 63.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.74 47.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.15 109.17 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.431 ' HA ' HG13 ' C' ' 31' ' ' ILE . 1.8 pp -133.71 132.76 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 32' ' ' ILE . 14.4 tt -154.79 38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 110.71 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -53.82 135.59 41.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.33 84.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -146.86 140.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.99 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 133.99 8.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.68 149.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.55 99.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -98.85 125.84 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.726 0.298 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.59 102.25 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.09 118.46 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.28 96.0 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.12 -171.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.96 -42.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -120.5 141.11 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.66 59.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.31 82.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.39 147.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.7 -92.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.38 129.78 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.54 86.25 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 63.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.47 45.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.81 109.6 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' B' ' 31' ' ' ILE . 1.8 pp -132.54 133.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.439 HG12 ' O ' ' C' ' 32' ' ' ILE . 14.0 tt -155.8 38.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.78 111.57 4.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.12 134.81 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.53 85.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -146.51 139.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -111.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.52 133.97 8.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.63 149.88 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.6 99.1 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.16 125.77 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.729 0.299 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.6 101.49 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.78 119.79 37.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.21 98.47 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.91 -171.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.27 -41.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -119.75 141.07 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.13 60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -74.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.47 81.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.06 146.78 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.06 -92.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.72 130.32 56.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.82 86.44 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.03 62.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.44 47.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.0 107.65 19.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.406 ' HA ' HG13 ' E' ' 31' ' ' ILE . 1.9 pp -133.75 132.54 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.429 ' O ' HG12 ' D' ' 32' ' ' ILE . 15.1 tt -154.19 38.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 109.67 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -52.78 135.91 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -147.2 140.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.79 -111.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.72 134.31 8.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.42 149.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.29 99.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mm -99.04 126.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.54 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.59 118.8 34.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.26 97.86 5.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.38 -171.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.46 -42.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -120.26 140.92 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.36 81.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.79 147.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.6 -93.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.25 129.88 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.84 86.8 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.4 63.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 47.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.03 109.12 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.447 ' HA ' HG13 ' F' ' 31' ' ' ILE . 1.8 pp -133.66 132.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.435 ' O ' HG12 ' E' ' 32' ' ' ILE . 14.5 tt -154.67 38.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.5 111.1 4.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -53.8 135.43 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.96 84.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 52.0 t -146.82 140.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.93 -111.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 134.01 8.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.6 149.78 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.45 99.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 21.7 mm -98.91 125.89 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -56.17 -36.15 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.64 101.98 11.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.23 118.51 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.14 96.55 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.82 -171.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.02 -42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.67 140.85 51.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.7 59.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.23 82.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -96.52 147.1 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.62 -92.83 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.48 129.87 56.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.44 86.11 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.87 63.46 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.54 45.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.87 109.63 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.447 HG13 ' HA ' ' E' ' 31' ' ' ILE . 1.8 pp -132.62 133.27 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.432 ' O ' HG12 ' F' ' 32' ' ' ILE . 14.2 tt -155.8 38.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.79 111.94 4.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.22 134.8 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.2 85.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.3 t -146.4 139.84 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.39 -111.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 133.88 8.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.58 149.85 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.52 99.14 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 mm -99.23 125.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.311 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.55 112.12 17.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 121.11 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.18 106.72 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.92 144.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.78 159.31 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 60.54 175.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.95 -36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.51 35.75 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.21 150.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.82 179.58 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.63 -71.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.56 131.75 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.77 83.65 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.39 66.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.23 35.63 0.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.22 101.17 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' HA ' HG13 ' B' ' 31' ' ' ILE . 1.8 pp -130.43 135.42 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' O ' HG12 ' A' ' 32' ' ' ILE . 19.7 tt -152.73 42.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.83 -120.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.26 111.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.17 35.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.63 150.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.84 12.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 p -177.93 123.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.27 129.86 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.31 133.94 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.72 111.46 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 120.45 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.54 106.27 9.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -160.42 143.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.09 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.13 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.6 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.18 35.39 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.61 150.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.92 -179.95 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 -72.32 1.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 131.21 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.56 83.62 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.25 67.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.86 34.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.46 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.413 ' HA ' HG13 ' C' ' 31' ' ' ILE . 1.7 pp -130.01 135.79 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 32' ' ' ILE . 19.2 tt -152.37 41.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.87 -120.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -175.42 111.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 63.94 35.15 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.19 150.93 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 78.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 157.83 11.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -177.91 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.11 130.06 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.0 133.89 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 111.6 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 119.28 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 105.82 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -161.41 143.84 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -95.06 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.98 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.96 35.69 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.83 150.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.84 179.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 -72.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.84 131.18 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.71 82.83 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.0 68.12 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.48 33.14 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.42 103.51 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.297 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.413 HG13 ' HA ' ' B' ' 31' ' ' ILE . 1.7 pp -130.22 136.28 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.457 HG12 ' O ' ' C' ' 32' ' ' ILE . 19.0 tt -152.95 40.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.07 -121.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.84 110.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.91 34.83 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.07 151.58 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.95 79.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.25 158.02 12.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 p -177.99 123.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.63 130.42 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.34 133.77 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.716 0.293 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 112.47 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 121.26 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 106.54 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.61 144.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.04 159.61 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 61.17 175.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.51 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -125.31 35.22 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 65.15 150.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.9 179.12 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.69 -71.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.2 131.6 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.31 83.83 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.59 67.19 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.28 35.76 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 100.8 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.325 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.435 ' HA ' HG13 ' E' ' 31' ' ' ILE . 1.8 pp -130.35 135.53 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.415 ' O ' HG12 ' D' ' 32' ' ' ILE . 19.8 tt -153.2 43.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.59 -119.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -174.73 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.77 35.37 11.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.21 150.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 158.06 12.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -177.77 123.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.34 129.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.47 134.13 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.724 0.297 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 111.56 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.59 106.42 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.35 143.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.03 158.53 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.14 174.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.53 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.95 35.35 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.42 150.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.87 -179.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 -72.19 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.68 131.32 29.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.52 83.57 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.28 67.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.81 34.49 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.11 102.3 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' D' ' 31' ' ' ILE . 1.7 pp -130.04 135.71 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.446 ' O ' HG12 ' E' ' 32' ' ' ILE . 19.3 tt -152.37 41.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.64 -120.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -175.15 111.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.81 35.29 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.25 150.84 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.11 79.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.84 157.97 11.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -177.96 123.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.07 129.97 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.19 133.88 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.804 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.36 -75.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 111.71 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 119.03 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.91 105.59 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -161.36 143.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' HB ' ' F' ' 32' ' ' ILE . 0.1 OUTLIER -94.87 158.51 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 60.03 173.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.49 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.84 35.68 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.78 150.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.85 179.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.26 -72.25 1.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.81 131.24 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.8 82.91 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.09 68.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.61 33.08 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.42 103.4 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' E' ' 31' ' ' ILE . 1.7 pp -130.25 136.53 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.448 ' O ' HG12 ' F' ' 32' ' ' ILE . 18.9 tt -153.09 40.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.98 -121.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.61 110.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.81 34.79 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 t -60.95 151.4 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.86 79.17 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.21 158.13 13.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -177.92 123.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.164 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.69 130.32 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.27 133.93 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.784 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.833 0.349 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 102.18 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -103.8 99.69 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -102.67 105.74 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.17 98.97 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.58 90.37 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -83.93 78.62 9.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t 58.09 64.19 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.99 61.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -77.15 77.18 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.67 -39.31 37.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.2 92.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -118.98 159.84 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.06 -74.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.18 115.61 20.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -113.55 96.05 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -102.31 102.15 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -160.98 143.52 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.22 153.21 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 65.04 -171.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.77 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.33 -69.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -178.85 123.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.85 -178.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.87 1.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -140.92 131.68 25.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.25 83.03 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 65.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.77 35.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.71 107.56 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.55 138.1 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -141.57 87.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.74 132.84 4.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.86 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.43 41.53 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -100.71 88.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.53 94.68 2.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.69 115.01 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -177.04 123.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.71 126.56 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.87 130.15 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.821 0.344 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.42 102.21 12.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.74 99.64 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -102.67 105.69 16.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 99.02 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.58 90.36 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.45 49.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.08 -170.92 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.91 35.84 2.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -149.61 164.95 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -137.14 36.2 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.9 m -111.35 141.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -161.43 43.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 -75.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.3 115.32 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -113.54 95.44 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -103.22 101.81 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.1 142.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.14 152.22 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 64.58 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.66 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -113.33 -68.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.23 123.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.51 -178.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.09 1.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.6 131.28 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.91 83.06 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.96 34.48 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.07 107.33 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.64 137.71 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.44 86.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.4 132.93 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 137.78 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.72 41.36 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.18 88.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.3 95.35 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.83 114.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -177.47 123.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.53 126.38 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.89 130.17 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 102.18 12.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.72 99.57 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -102.62 105.71 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 98.97 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.63 90.35 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.84 73.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.05 -50.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.57 -147.95 19.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -154.51 85.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.95 164.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 t 60.54 100.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.39 171.54 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 72.37 -69.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.28 114.92 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.68 93.94 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -104.42 101.91 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.7 143.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.4 152.66 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 64.25 -173.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.78 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.88 -68.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.18 123.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.57 -178.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.07 1.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -141.85 131.27 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.809 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.08 82.6 3.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.55 66.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.59 33.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 107.81 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -136.48 137.89 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 tt -144.06 85.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.18 132.53 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.14 138.09 37.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.61 40.97 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -101.65 88.48 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.62 95.03 2.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.76 114.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -177.52 123.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.56 126.66 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.73 130.17 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.38 102.23 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -103.82 99.73 9.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -102.65 105.7 16.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.04 99.04 8.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.61 90.32 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.49 -36.49 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.6 t -163.2 36.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.784 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.28 65.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.45 158.59 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -122.5 -35.31 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.25 87.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -109.12 -38.71 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.89 -82.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.32 114.99 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -113.54 95.82 5.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.36 102.08 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.22 143.19 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.68 153.58 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 65.29 -171.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.64 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -112.43 -69.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.54 123.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 m -109.19 -178.42 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.57 -68.38 1.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -140.79 131.59 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.74 83.16 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.29 65.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.93 35.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 107.38 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.64 138.23 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tt -141.38 87.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.14 132.56 4.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.58 137.37 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.75 41.8 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.94 88.51 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 94.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.48 115.07 1.83 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -176.84 123.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.71 126.46 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.9 130.1 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.4 102.23 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.84 99.63 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -102.61 105.68 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 99.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.64 90.36 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -68.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.38 165.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.99 -105.73 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -52.32 131.71 33.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.74 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -175.81 150.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.07 88.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 71.35 -70.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -125.69 114.82 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -113.94 95.64 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.53 102.07 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -159.93 143.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.96 152.21 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.52 -172.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.58 -45.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.2 -68.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.17 123.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -109.54 -178.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.65 -69.04 1.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.57 131.36 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 83.09 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 66.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.61 34.66 0.69 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.92 107.35 11.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.51 137.72 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -142.05 86.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 132.38 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.85 137.83 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 63.89 41.16 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.19 88.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.32 95.16 2.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.9 114.35 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -177.5 123.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.66 126.54 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.93 130.11 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 102.15 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.73 99.57 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -102.62 105.62 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.01 98.94 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.6 90.34 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.07 -36.14 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 28.7 p -147.14 176.4 9.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.9 45.14 3.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -131.99 76.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -178.73 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.53 144.52 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -177.58 166.65 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.26 -71.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -113.82 92.97 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.59 101.81 11.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 p -160.48 143.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.21 152.56 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 64.28 -173.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.84 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -113.79 -68.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -179.21 123.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 m -109.6 -178.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.44 -69.06 1.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.86 131.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.04 82.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.36 107.8 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -136.58 138.02 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -143.95 86.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 132.7 4.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.19 137.86 37.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.06 41.28 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -101.57 88.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 95.37 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.78 114.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -177.49 123.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.53 126.55 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.87 130.21 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 100.59 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.61 102.86 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.22 101.77 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.34 102.41 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.87 83.21 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -96.15 36.29 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m 52.95 -170.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.91 -132.48 2.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -153.61 -46.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.57 157.81 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.2 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.79 -170.49 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 m80 63.2 163.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.51 103.32 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.3 113.1 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.21 96.75 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -132.84 -171.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.44 -55.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -112.09 137.49 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.25 33.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.84 -169.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.75 95.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.44 148.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.75 -111.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 140.8 39.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.87 97.84 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 111.0 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.21 13.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.39 110.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 pp -133.47 131.8 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tt -150.22 88.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.17 127.18 2.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.54 134.17 55.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.38 90.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -149.37 143.79 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.49 -127.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 174.91 30.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 m -148.73 142.34 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.04 111.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -130.05 131.17 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.28 100.58 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 102.9 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.3 101.73 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.78 83.27 4.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.39 54.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 73.3 p -74.45 75.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.79 145.96 4.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 57.52 -177.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.345 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -135.78 145.26 46.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.47 141.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -126.27 179.44 5.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.95 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.54 103.29 13.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.19 112.58 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.75 96.54 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 m -132.93 -171.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.44 -55.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -111.92 137.37 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.22 32.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.74 -169.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -107.43 148.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.96 -111.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 140.03 40.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.0 98.83 10.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 111.25 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 44.18 14.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.56 109.21 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 pp -133.34 131.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.64 88.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.82 127.24 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.69 134.18 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.13 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.2 143.84 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.84 -128.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 174.52 30.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 m -148.59 141.86 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -137.71 111.99 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.8 mm -129.57 131.19 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 100.62 10.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.57 102.89 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.25 101.7 10.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.29 102.38 11.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.82 83.26 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -108.2 38.08 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -70.23 -39.97 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.22 86.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.11 -63.01 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.907 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.53 82.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -54.68 114.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -119.21 -72.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 71.41 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -102.63 103.25 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.27 112.49 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.83 96.42 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 10.2 m -133.15 -171.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.63 -54.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -111.94 137.2 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.64 -169.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.36 148.51 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.97 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 140.19 40.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.04 98.83 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.24 111.0 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.97 42.97 18.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.75 108.61 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -133.27 132.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.94 88.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.66 127.06 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.76 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.19 90.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -149.19 144.1 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 -128.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 174.24 29.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -148.85 142.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 t -137.81 111.87 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 mm -130.03 131.22 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.21 100.64 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.62 102.86 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.26 101.73 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.3 102.41 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.83 83.3 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -118.36 36.3 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.15 99.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.12 -63.55 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -167.2 48.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -151.24 117.23 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.13 134.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -143.51 -68.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 62.42 171.33 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.5 13.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.43 96.53 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 m -132.9 -171.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.52 -54.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -112.01 137.24 50.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 33.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -180.0 -169.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 94.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 p -107.54 148.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.72 -111.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.97 140.75 39.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.55 97.98 10.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 111.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.68 44.51 12.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.55 109.97 21.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.42 ' HA ' HG13 ' E' ' 31' ' ' ILE . 2.1 pp -133.45 131.67 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tt -150.07 88.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.93 127.21 2.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.37 133.83 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.35 90.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.36 143.76 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.26 -128.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.82 175.0 30.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.2 m -148.57 142.28 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.1 t -137.68 111.72 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -130.1 131.07 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.21 100.63 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.62 102.89 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.27 101.78 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.39 102.37 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.83 83.26 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -107.0 36.35 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.03 -71.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.06 -129.99 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -139.91 36.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.7 40.98 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -133.05 130.82 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -62.13 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -139.92 137.34 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.49 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -111.13 112.74 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.48 96.77 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.64 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.3 -55.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -111.97 137.4 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 32.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -169.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -107.46 148.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.99 -111.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 139.93 40.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.91 98.82 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.26 111.2 15.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 44.16 14.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.47 109.26 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' D' ' 31' ' ' ILE . 2.1 pp -133.32 131.82 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.59 88.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.62 127.14 2.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.54 134.1 55.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.07 90.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -149.2 143.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.89 -128.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.02 174.62 30.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -148.5 141.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -137.68 111.91 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -129.65 131.19 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.792 0.33 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.23 100.61 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.57 102.92 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.34 101.69 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.32 102.42 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.82 83.25 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.44 106.32 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.6 p -160.36 124.49 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.26 136.55 34.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.15 157.56 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 55.79 -173.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -97.52 122.33 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -126.27 37.51 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.99 -46.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.57 103.41 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.22 112.6 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.65 96.59 5.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 10.2 m -132.94 -172.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.61 -54.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -111.93 137.12 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.56 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 -169.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.89 95.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.32 148.46 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.92 -111.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.17 98.86 10.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.28 110.95 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.04 42.99 18.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.86 108.73 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -133.33 132.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.99 88.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.7 127.11 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.77 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.31 90.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.0 t -149.23 143.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.8 -128.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.45 174.36 29.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.79 142.01 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.0 t -137.79 111.86 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mm -130.07 131.19 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.12 100.57 10.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.76 99.88 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.44 102.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 103.73 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.35 74.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.37 36.58 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -102.47 124.73 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.4 37.44 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.14 -47.63 4.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -110.04 -170.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t 62.15 99.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -91.4 -177.36 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -83.62 -72.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.0 114.3 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 97.04 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -102.81 105.82 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 p -160.32 135.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.83 150.31 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 66.75 120.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 -33.93 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -72.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.72 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -127.67 -178.69 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -75.46 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.02 127.72 49.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.08 91.05 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -108.13 88.21 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.08 33.3 4.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.1 106.61 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 111.084 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.68 137.16 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tt -144.83 86.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.48 -119.53 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.63 113.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 63.79 34.08 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.65 132.77 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.85 -103.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.12 164.15 22.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -177.47 121.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.01 130.41 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -134.03 127.46 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.13 100.5 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.78 99.88 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.37 102.34 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 103.73 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -134.29 74.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.19 -53.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m -140.29 85.63 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.16 -51.91 53.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -97.58 142.4 29.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.22 152.27 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.69 149.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 58.7 -176.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -155.21 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.1 114.49 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.39 96.57 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.22 105.76 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -158.8 135.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.57 149.78 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 66.37 119.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -34.13 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.62 -71.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.68 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.91 -178.89 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -75.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.84 127.16 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.11 91.12 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.43 88.59 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.59 5.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.53 107.06 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.35 137.73 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.89 85.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.23 -120.22 2.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.81 113.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.09 33.63 11.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.37 133.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.69 -103.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.73 163.61 21.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -177.89 121.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.77 130.66 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.69 127.41 52.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.762 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.12 100.49 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 99.87 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -104.36 102.35 12.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.11 103.7 13.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -134.31 74.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t 52.68 -170.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.73 94.14 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.05 148.6 50.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 60.99 39.18 16.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.94 142.26 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -86.47 170.98 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -126.03 -37.91 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.02 114.69 26.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 95.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.81 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 p -158.6 135.68 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.56 150.27 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.21 117.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.3 -34.82 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -70.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.4 137.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -127.87 -179.05 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.72 -75.36 1.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.11 127.09 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 90.4 7.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.85 89.03 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.09 31.67 5.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.87 107.8 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.14 138.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -145.73 85.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.95 -120.51 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 112.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.04 34.26 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.66 133.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -104.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 163.55 21.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -177.94 121.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.74 130.65 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.96 127.35 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.324 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.14 100.55 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.77 99.88 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.39 102.38 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.14 103.75 13.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.3 74.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -77.15 65.38 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.16 -170.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.9 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -52.05 143.47 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -177.27 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 19.1 m -137.96 -173.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.051 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 63.33 41.13 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.64 146.72 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.16 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 96.89 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -102.92 105.44 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -160.49 135.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.44 150.67 21.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 66.96 120.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 -33.6 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.67 -72.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 179.92 137.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -127.78 -179.03 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.5 -74.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -122.93 127.43 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.68 91.13 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.48 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.29 33.29 4.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 106.44 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.67 137.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tt -145.11 86.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 -119.22 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.41 113.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.24 34.03 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.55 132.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.99 -103.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 164.18 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -177.22 121.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.98 130.33 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.98 127.5 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.801 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.1 100.51 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 99.86 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.35 102.36 12.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.17 103.72 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.35 74.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -39.81 60.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -158.84 179.93 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 61.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.95 100.25 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.934 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.88 48.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 19.8 t -144.82 136.96 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m170 63.11 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -166.41 78.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.27 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 96.61 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -103.42 105.64 15.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -158.69 135.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.49 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.42 119.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 -33.93 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.8 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 m -127.98 -178.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.58 -75.49 1.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.82 127.26 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.02 91.13 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.7 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.4 32.67 5.11 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.16 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.45 137.62 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 85.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 -119.97 2.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.68 113.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 63.85 34.17 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.44 133.45 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -103.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.57 21.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -177.84 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.82 130.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.82 127.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.09 100.51 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -102.74 99.9 9.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -104.4 102.41 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.08 103.73 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.33 74.74 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t 51.91 -169.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.61 -124.1 5.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -171.53 53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 52.03 69.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.88 47.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -172.41 103.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -148.39 -74.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.88 114.54 26.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 95.51 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.99 106.35 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 p -158.57 135.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.51 150.3 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 66.21 117.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.25 -34.78 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.38 -70.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.46 137.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.91 -179.06 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.7 -75.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.07 127.13 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.14 90.47 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.93 89.0 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.06 31.71 5.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.84 107.84 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.18 138.39 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -145.68 85.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 -120.56 2.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 113.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.07 34.23 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.64 133.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.44 -104.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.7 163.62 21.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -177.98 121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.76 130.71 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 mp -133.92 127.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 103.56 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.52 98.87 8.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.98 103.12 13.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.43 98.72 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.14 -38.87 10.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -172.88 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.49 -38.82 1.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 61.04 57.45 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -175.29 144.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.0 p -116.01 121.41 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -177.98 105.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -144.19 145.84 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.6 98.24 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 115.71 23.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -112.95 106.65 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -139.85 -178.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.31 -37.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -173.92 162.55 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.07 68.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.14 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.5 55.54 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.61 145.46 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -87.39 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -131.54 127.96 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.822 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -95.44 83.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 58.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.88 34.15 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.47 114.19 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.43 135.68 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tt -148.64 83.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.1 143.55 15.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 123.89 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.64 50.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -91.25 143.47 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.34 -139.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.86 174.89 42.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.26 127.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.28 130.38 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.42 136.18 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.37 103.51 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.52 98.95 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -102.03 103.06 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.41 98.7 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.97 -57.71 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -168.45 -73.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 158.59 7.48 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 63.19 102.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 141.48 19.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.25 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 57.97 95.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -105.8 -58.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.69 98.07 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 115.75 23.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -112.91 106.79 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.16 -178.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.58 -38.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.34 163.07 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.01 68.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.42 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.47 56.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.33 145.65 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.08 -87.38 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -132.33 126.63 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -95.81 84.63 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.16 59.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.7 32.9 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.83 113.95 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.83 136.32 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -149.01 82.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.43 143.68 15.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 124.16 28.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 tmm? 64.14 50.54 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -90.99 143.27 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.18 -139.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.03 174.72 43.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.31 127.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.3 t -121.74 130.72 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.24 136.03 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.76 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.794 0.331 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.3 103.56 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.59 98.93 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -101.93 103.03 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 98.7 8.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.84 83.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.97 39.01 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 7.6 p -76.21 109.84 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.7 113.97 0.5 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 -70.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.29 141.74 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.98 71.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -123.08 -74.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m80 71.31 -70.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.68 98.73 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.81 115.33 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.66 105.98 13.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -140.28 -177.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.56 -38.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -173.75 163.45 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.29 67.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.96 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.58 56.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.86 146.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.95 -87.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.48 126.42 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -96.35 85.01 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.81 59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.43 31.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.54 113.87 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.68 137.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -150.04 82.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.0 142.81 14.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 124.23 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.0 tmm? 64.68 50.36 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -91.79 143.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.22 -139.76 1.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.32 174.83 43.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.36 127.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.36 131.1 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.12 136.17 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.795 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.28 103.53 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.53 98.94 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.96 103.1 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.46 98.76 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.82 83.77 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -116.19 37.71 3.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.82 -43.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.86 -139.0 30.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.81 140.05 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -53.51 107.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -81.45 -61.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.82 179.89 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -162.16 113.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.67 98.12 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.82 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -112.99 106.9 15.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.64 -178.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.29 -37.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -173.72 162.55 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 68.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.08 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.57 55.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.85 145.48 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.29 -87.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -131.51 127.64 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -94.96 83.69 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.99 59.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.17 34.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 113.96 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.39 135.6 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tt -148.96 84.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.71 143.81 15.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.12 123.29 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.44 50.89 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.47 143.6 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 -139.72 1.86 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.0 175.08 42.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -178.03 127.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -122.2 130.42 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.61 136.24 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.774 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.32 103.47 14.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.51 98.9 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.94 103.04 13.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 98.72 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -110.87 83.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -88.54 87.16 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -63.1 116.83 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.94 127.71 2.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -169.9 171.4 7.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -128.52 -39.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.73 129.05 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -81.37 -178.16 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -106.53 -72.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.64 98.0 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.62 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -112.88 107.03 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 m -139.89 -178.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.63 -38.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.43 163.03 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.17 68.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.4 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.27 56.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.43 145.56 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.14 -87.4 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.32 126.68 33.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -95.74 84.44 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.13 59.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.7 32.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.78 113.97 18.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.83 136.27 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.9 83.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.0 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.95 124.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.955 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.05 50.65 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 89.5 t -91.04 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.21 -139.62 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 174.81 43.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.21 127.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.82 130.64 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.34 136.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.26 103.51 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.53 98.93 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -102.0 103.12 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.4 98.69 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.7 103.29 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -72.94 174.64 7.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.37 -168.29 22.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.07 -65.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.52 123.28 21.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.24 141.2 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -137.71 96.13 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -76.91 -38.32 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.76 98.45 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.89 106.14 14.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.04 -177.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.49 -38.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -173.85 163.37 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.38 67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.98 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.65 56.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.95 146.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -87.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -132.5 126.41 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -96.15 84.82 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.72 59.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.42 31.72 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.56 113.76 18.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.62 137.37 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tt -149.91 82.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.76 143.2 14.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 124.09 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.25 50.62 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -91.66 143.97 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -139.8 1.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.17 174.89 43.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -178.3 127.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.64 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.29 136.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.21 101.56 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 101.01 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.76 100.86 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.46 101.68 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.89 68.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.77 39.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.62 178.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.79 -104.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.08 83.19 2.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -161.72 141.75 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -148.53 150.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -176.42 52.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -159.2 -176.61 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 104.28 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.18 117.23 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.05 106.29 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -138.02 160.3 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -119.46 -50.19 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -106.78 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.54 146.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 51.42 72.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.3 p -117.77 138.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.46 -122.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -102.36 140.22 36.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -100.26 82.61 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -104.98 84.78 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.77 31.26 4.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 113.45 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -139.37 135.93 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.8 80.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.79 137.52 9.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 128.7 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.58 46.9 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.4 t -94.44 144.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.61 -158.46 15.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.49 166.53 2.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.34 141.83 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.32 109.36 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.0 mm -134.14 123.23 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.25 101.64 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.04 101.1 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.74 100.91 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.47 101.65 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -106.91 68.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.35 -39.53 89.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 85.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.15 -144.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -118.75 42.79 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -139.32 49.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -73.29 176.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.26 138.77 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -61.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.12 104.11 16.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.76 116.92 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.46 105.57 12.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -138.48 160.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -119.79 -50.78 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -106.26 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.84 146.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 51.11 73.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.34 137.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.8 -121.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -102.79 139.28 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -100.29 83.44 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.47 85.08 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.25 30.55 5.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.66 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.086 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.56 135.96 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 tt -142.8 80.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.42 137.67 9.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.68 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.57 46.81 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.36 144.39 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.32 -158.67 14.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.51 166.19 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.62 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.02 109.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mm -133.67 123.5 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 101.53 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.95 101.03 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.68 100.9 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.41 101.68 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -106.92 68.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.59 117.82 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.88 155.95 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.34 155.28 22.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.27 96.46 4.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.33 156.65 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -158.05 163.45 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.1 -76.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 104.6 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 117.02 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.92 104.81 11.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.99 160.33 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -120.59 -50.12 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -105.28 -173.21 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.53 -45.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.84 145.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.92 73.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.15 137.69 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.73 -121.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -102.93 139.03 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.83 82.78 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.89 85.53 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.07 29.3 5.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.63 112.86 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -140.23 135.94 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 tt -144.13 79.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.17 137.91 9.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.96 47.07 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 99.3 t -94.97 144.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -158.74 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 166.39 2.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.3 141.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -133.44 109.56 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -134.01 123.36 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 101.59 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.99 100.98 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -103.73 100.97 10.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.5 101.71 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.91 68.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -94.62 51.31 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -106.03 -173.79 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.27 54.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -142.04 135.23 29.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.65 176.03 8.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.63 -37.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -150.5 142.38 23.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -171.43 141.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.16 104.48 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 117.4 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.81 106.67 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.94 160.37 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -118.93 -49.95 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -106.58 -172.24 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.5 -45.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.67 147.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 51.52 71.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.24 137.87 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -121.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -102.48 140.18 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.67 82.58 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -105.03 84.94 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.87 31.26 4.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 113.78 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -139.43 136.0 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.59 80.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.42 137.46 9.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.438 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.2 128.53 33.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.43 47.13 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 96.6 t -94.61 144.25 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.56 -158.32 14.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.42 166.49 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.94 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.08 109.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mm -134.02 123.25 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.18 101.59 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.98 101.03 10.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -103.74 100.86 10.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.41 101.67 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -106.87 68.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.66 100.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.64 84.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.64 -33.96 55.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 58.37 79.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -114.93 -36.66 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 27.9 m -109.78 44.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -116.15 109.53 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -133.69 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.05 104.27 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 116.74 25.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -115.73 105.89 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.16 160.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -119.44 -51.09 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.35 -172.55 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.1 -44.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.81 146.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 51.08 72.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.35 137.75 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -121.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -102.85 139.4 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.11 83.35 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.48 84.94 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.32 30.56 4.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.57 113.08 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.57 136.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 tt -142.5 80.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.36 137.57 9.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.64 33.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.2 47.04 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -94.38 144.57 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.24 -158.61 13.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.61 166.38 2.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.98 109.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 18.6 mm -133.86 123.45 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.24 101.64 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 101.01 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.75 100.9 10.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.44 101.69 11.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.94 68.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.2 111.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.49 -53.79 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.81 -156.16 22.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -63.94 166.21 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.972 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -55.38 134.26 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -137.09 146.87 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.75 169.94 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -54.42 -37.92 65.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.0 104.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 116.43 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -116.26 104.78 11.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -139.71 160.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -120.37 -50.36 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -105.42 -173.25 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.62 -45.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.85 145.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.88 73.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.19 137.8 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.68 -121.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -103.01 139.16 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.71 82.75 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.9 85.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.17 29.34 5.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.75 113.0 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -140.12 136.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.98 79.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.93 138.05 9.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.54 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.51 47.08 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -94.66 144.41 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.57 -158.74 15.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.79 166.43 2.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.32 141.74 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 39.0 t -133.25 109.4 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -134.0 123.31 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.14 100.41 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.06 101.3 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.43 100.41 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.98 101.23 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -107.93 98.34 7.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.49 -72.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 t -179.38 -74.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.86 -156.59 18.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -153.86 97.71 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.67 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t 63.61 105.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -139.72 -74.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m170 56.6 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 103.83 12.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.38 96.56 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.41 175.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.3 -41.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -129.8 141.51 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.0 33.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.12 53.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.39 118.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.31 143.76 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.86 -115.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.83 136.51 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.15 89.12 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.17 69.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.23 53.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.1 114.53 27.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -138.23 134.79 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -141.38 84.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.09 155.13 23.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.42 126.36 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.45 36.95 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.15 148.02 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.63 -147.76 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.24 166.01 51.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.0 t -150.22 141.7 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.22 123.58 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.42 136.53 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.23 100.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.33 10.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.45 100.35 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.91 101.22 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -107.99 98.33 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -66.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 72.11 -69.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.02 -122.03 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -141.73 116.11 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.65 76.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -146.64 71.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 52.63 89.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -99.35 127.13 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.02 110.84 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.22 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.14 96.37 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -139.6 175.41 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.61 -41.78 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.76 33.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.91 54.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.12 119.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.15 143.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.58 -114.7 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.31 135.45 46.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -100.66 89.47 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.76 70.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.52 53.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.0 113.73 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.94 134.78 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -141.73 83.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.8 23.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.41 126.39 49.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.56 36.97 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 148.28 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.44 -147.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.42 165.95 50.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 99.1 t -150.31 141.75 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.04 123.75 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.4 136.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.25 100.39 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.01 101.3 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.4 100.4 10.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.94 101.15 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -108.01 98.37 7.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t 58.65 -170.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.15 170.09 24.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 52.04 77.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 175.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -52.84 -35.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -51.74 122.68 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -155.73 40.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.81 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.75 103.37 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.12 96.27 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.59 175.02 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.76 -41.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -129.68 140.91 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.17 32.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.45 54.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.07 119.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.18 142.97 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.188 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -113.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.44 134.44 48.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.9 0.381 . . . . 0.0 110.817 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -101.18 88.62 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.74 70.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.62 52.64 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.15 113.57 26.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -138.42 135.45 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -142.76 83.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.61 154.62 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.03 126.96 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.99 36.87 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.94 148.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 -147.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.19 50.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 99.1 t -150.26 141.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.72 123.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.59 136.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.19 100.37 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.04 101.33 10.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -104.44 100.4 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.93 101.2 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -107.97 98.28 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.6 -51.58 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.74 179.67 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.32 80.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 62.16 174.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 145.06 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.0 138.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.69 154.17 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -134.78 143.5 47.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.0 110.56 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 104.03 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -104.4 96.63 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 m -139.18 175.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.27 -41.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -129.67 141.71 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.06 34.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.97 53.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.18 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.64 143.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 -114.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.95 136.37 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.83 89.08 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.15 70.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.33 53.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.52 114.47 27.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.97 134.65 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -141.32 84.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.85 155.21 23.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.28 126.05 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.64 37.15 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.48 148.03 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.8 -147.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.51 166.0 50.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.14 123.71 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.34 136.62 58.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.16 100.43 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.35 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.33 100.35 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.88 101.28 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -107.91 98.3 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.3 42.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -144.12 93.39 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.27 -123.05 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -86.01 116.44 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' E' ' 12' ' ' VAL . 73.2 mt-10 -135.87 -66.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' E' ' 11' ' ' GLU . 12.1 m 43.48 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.45 153.13 39.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -126.5 121.59 32.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -101.97 110.95 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.28 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -105.18 96.56 6.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -139.59 175.45 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -41.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -130.18 141.44 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.68 33.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.78 54.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 119.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.24 143.82 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.38 -114.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.32 135.82 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.67 89.48 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.83 70.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.5 53.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.94 113.82 27.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.708 0.29 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.96 134.7 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 tt -141.58 83.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.94 154.87 23.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.53 126.35 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.51 37.07 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.36 148.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.6 -147.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.05 50.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.528 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.23 141.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.071 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.98 123.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.51 136.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.827 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.16 100.43 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.29 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.39 100.37 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.9 101.19 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -108.01 98.35 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 89.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -100.42 -36.05 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.4 164.54 1.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 62.75 -177.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.26 90.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -147.85 81.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.15 142.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -142.49 -56.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.11 110.76 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.82 103.32 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.06 96.36 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 m -139.53 175.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.65 -42.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.7 140.96 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.09 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.47 54.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.05 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -139.37 143.08 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.68 -113.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.38 134.67 48.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.2 88.71 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.79 70.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 52.53 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.12 113.51 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 pp -138.43 135.46 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 tt -142.53 83.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.47 154.62 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.97 126.82 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 66.97 36.96 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.828 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.92 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.25 -147.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 166.11 50.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 99.4 t -150.18 142.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.89 123.72 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.53 136.74 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.58 98.48 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.13 101.47 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -102.07 100.57 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.99 100.63 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.18 79.36 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.03 -38.24 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 -171.43 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.2 -152.79 17.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.98 124.27 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.952 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.7 -70.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -173.42 -35.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -47.64 123.45 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -139.07 -64.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.24 101.77 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.04 108.87 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -109.19 105.83 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.68 176.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.21 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -123.43 -166.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.81 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -142.07 -165.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.56 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.86 -34.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.95 -102.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -131.24 131.55 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -95.19 81.86 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.34 69.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.62 35.69 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.23 115.32 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.426 ' HA ' HG13 ' B' ' 31' ' ' ILE . 2.0 pp -134.74 131.35 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 tt -142.48 85.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.95 131.89 6.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 33.03 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.87 35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.77 143.98 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.59 62.84 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.15 142.97 5.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.39 131.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.29 124.97 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mm -127.72 129.58 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.57 98.36 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.09 101.45 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -101.77 100.14 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.77 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -95.92 79.12 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.5 -37.51 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m 63.49 164.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.37 -101.18 2.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -131.37 122.3 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -169.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 m -91.61 178.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.7 m80 59.19 90.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -177.41 93.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.76 101.9 12.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.72 108.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.4 105.41 14.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.35 176.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.23 -40.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -123.44 -167.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.0 -164.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.52 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.76 -34.84 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.33 -103.43 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.98 130.08 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.21 83.27 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 69.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.41 35.55 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.94 113.9 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 0.0 111.077 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.426 HG13 ' HA ' ' A' ' 31' ' ' ILE . 2.0 pp -134.97 130.97 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tt -142.27 85.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.85 132.35 7.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.13 32.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.55 35.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.55 144.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.66 62.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.88 143.14 5.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -177.43 132.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -131.9 125.22 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.8 mm -127.37 129.75 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.765 0.316 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.55 98.29 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.07 101.42 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -101.91 100.32 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.93 100.33 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.29 79.09 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -35.77 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -103.23 -170.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.69 -154.35 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -68.76 87.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 163.71 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.34 159.38 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.8 m80 63.03 53.65 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -52.83 -36.4 58.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 101.56 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.85 108.7 16.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.46 105.17 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.14 176.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.1 -39.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.72 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.67 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.38 -164.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.63 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.24 -34.74 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.96 -103.36 0.89 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.83 129.74 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.09 83.1 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 69.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.67 33.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.22 112.98 24.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.76 132.03 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tt -142.25 85.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.09 131.57 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.64 32.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.94 35.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.94 144.33 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.62 63.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.02 142.8 5.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -177.79 131.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.24 125.11 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mm -127.78 129.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.096 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.58 98.42 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.06 101.44 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -101.98 100.35 10.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 100.62 10.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.19 79.13 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.71 -43.12 6.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t 72.16 -69.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.98 -152.03 22.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.11 136.74 52.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -154.38 130.97 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.53 41.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -87.23 62.85 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -177.74 174.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.41 101.88 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -116.71 109.02 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.28 105.99 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.67 176.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.24 -39.64 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.21 -167.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.79 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -141.75 -165.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 100.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -106.93 -34.4 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.42 -102.5 0.83 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.14 131.49 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 81.87 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.76 69.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.74 35.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 115.75 28.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.401 ' HA ' HG13 ' E' ' 31' ' ' ILE . 2.0 pp -134.48 131.44 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tt -142.16 86.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.43 132.47 6.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 33.02 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.38 35.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.24 143.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.87 62.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.19 143.32 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -177.02 132.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.01 124.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.88 129.47 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.837 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.54 98.34 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.02 101.36 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -101.94 100.35 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.99 100.44 10.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.23 79.12 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -37.57 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -102.98 177.61 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.72 117.47 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -88.87 145.45 25.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.16 -72.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -145.65 168.14 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -86.2 -175.82 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -144.1 144.93 31.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.35 101.67 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.86 108.28 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.68 105.68 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.17 176.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.18 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -123.63 -167.34 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.16 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -142.96 -164.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.38 99.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 10.1 p -106.83 -34.79 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -103.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.06 130.24 42.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.25 83.22 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.39 35.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.79 114.16 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.401 HG13 ' HA ' ' D' ' 31' ' ' ILE . 2.0 pp -134.93 130.94 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tt -141.94 86.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.75 132.36 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.08 32.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.47 35.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.63 144.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.71 62.8 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 142.82 5.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -177.68 131.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.11 125.16 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 22.8 mm -127.52 129.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.52 98.3 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.07 101.39 10.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -101.88 100.33 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.98 100.51 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.17 79.21 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -67.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.22 -76.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.35 -115.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -142.16 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -179.45 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.88 80.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.25 -175.56 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -142.83 -51.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.52 101.03 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.43 108.16 15.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mp -109.96 105.02 14.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.94 176.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.05 -39.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -123.7 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.71 -33.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.39 -164.6 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.4 -34.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 -103.34 0.88 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -130.93 129.69 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.05 83.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 69.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.54 34.24 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.16 112.98 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.83 132.13 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tt -141.93 85.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.02 131.67 6.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 33.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.0 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.92 144.21 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.43 62.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.97 142.89 5.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -177.55 131.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.37 124.87 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 22.9 mm -127.7 129.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.807 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.1 101.99 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.16 101.5 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.95 102.43 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.72 103.53 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -105.89 75.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -99.9 75.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 p -122.63 104.26 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.74 -58.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -77.77 65.14 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.92 -73.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.38 150.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -108.53 -174.06 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -71.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -113.26 114.69 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -108.58 90.91 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.37 96.89 7.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -142.02 159.4 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.26 147.29 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 67.51 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.37 27.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.6 -167.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.08 87.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG11 HG21 ' B' ' 24' ' ' VAL . 1.4 p -102.55 152.9 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.63 -117.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -104.41 147.77 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.15 81.45 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.83 71.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.44 33.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.01 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.13 133.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.81 86.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.18 132.51 3.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.65 148.04 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 64.8 mmm 63.07 35.57 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.35 130.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.37 118.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.8 111.44 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.22 133.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.39 117.35 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mm -114.99 124.81 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.04 101.95 11.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.01 101.35 11.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -107.17 102.56 11.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 103.22 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -106.19 75.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.48 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 71.94 -69.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 -169.82 12.74 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 63.36 160.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.93 38.68 4.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -177.54 124.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -148.79 35.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -137.71 -79.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -114.17 114.27 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -109.4 89.0 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mp -102.23 96.84 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.11 159.55 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.25 146.54 50.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 67.14 142.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.83 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.84 -167.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.53 87.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -102.41 152.03 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.7 -117.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -105.14 146.09 29.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -93.22 82.35 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 71.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.74 33.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.89 100.36 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.63 133.65 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 tt -144.52 86.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.04 132.29 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.66 148.24 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.4 mmm 62.92 35.19 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -103.7 130.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.44 119.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.438 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 111.18 3.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.49 132.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.21 117.53 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.6 mm -114.85 124.52 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.04 101.87 11.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.08 101.48 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -106.97 102.35 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 103.51 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.58 74.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 51.33 33.7 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t 51.52 35.8 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.62 -129.03 1.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.78 -50.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.32 170.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.22 148.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -175.52 157.36 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.79 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -112.87 114.85 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.9 87.47 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.93 98.13 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 t -140.65 159.32 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.16 145.73 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 66.52 141.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.96 26.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -167.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.39 87.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 p -101.92 152.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -117.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 p -105.96 145.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.12 81.3 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.18 71.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 31.82 1.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.75 100.52 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -129.57 134.2 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tt -144.87 85.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.12 131.83 3.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 147.84 32.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 mmm 63.31 35.31 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.86 130.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 118.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 111.16 3.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -177.55 133.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.19 117.31 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mm -115.12 124.59 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.02 101.92 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.07 101.39 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.95 102.34 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.54 103.49 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -105.72 74.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.84 -36.62 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -96.86 118.28 32.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.1 -33.59 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 63.08 161.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.59 -74.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.4 t 64.4 67.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -108.36 35.86 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -91.14 -169.48 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -113.02 114.61 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -108.41 91.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mp -99.87 96.45 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.12 159.48 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 68.06 143.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.29 27.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.02 -168.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.35 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.78 152.45 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -117.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.2 p -104.36 147.77 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -92.52 81.29 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.28 72.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.57 33.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.29 101.18 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pp -127.63 133.73 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.44 86.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.34 132.18 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 148.09 33.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mmm 63.27 35.36 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 95.3 t -103.68 130.21 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.3 118.5 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 111.55 3.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.07 133.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.32 117.41 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 25.4 mm -115.04 124.64 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.97 101.91 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.11 101.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.9 102.33 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.53 103.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.79 74.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -69.2 91.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t 63.33 37.5 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.46 33.54 5.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -169.31 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.929 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.55 -40.71 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t 64.95 153.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -51.12 103.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -71.78 -35.82 70.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -113.15 114.25 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -109.16 89.55 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.68 96.81 7.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.24 159.66 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.09 146.91 50.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 67.27 142.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.84 26.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.05 -167.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.91 87.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.66 152.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.47 -117.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -105.11 146.63 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.04 82.17 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.12 71.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.63 33.17 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.97 100.5 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -128.37 133.39 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -144.07 86.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.09 132.42 3.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.59 147.92 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 67.0 mmm 63.1 35.35 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.44 130.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.35 118.91 1.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 111.16 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 p -177.55 133.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.33 117.44 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mm -114.91 124.73 71.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 101.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.12 101.47 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -106.9 102.44 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 103.44 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.82 74.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -63.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -75.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.3 -35.32 2.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.32 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.24 148.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.74 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -41.22 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.95 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -112.57 114.86 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.72 87.86 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -103.54 97.74 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.87 159.49 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.06 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 66.7 141.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.05 26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.6 -167.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -66.69 87.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.1 152.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.74 -117.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -105.84 145.95 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -92.87 81.29 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.48 71.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.94 32.09 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.76 100.43 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -129.5 134.32 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -144.71 86.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.24 131.97 3.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.87 147.88 32.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 64.8 mmm 63.39 35.19 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.53 130.39 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.31 119.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.0 111.11 3.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -177.52 133.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.27 117.26 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 25.4 mm -115.1 124.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.809 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.35 100.75 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.46 101.19 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -104.13 100.46 10.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.06 101.43 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -104.27 107.47 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 -36.19 11.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -177.64 61.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.79 95.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 53.19 85.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.51 113.2 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -142.41 149.21 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.162 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -59.94 -175.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.55 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.67 101.74 11.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.83 119.19 35.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.46 97.93 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.0 -171.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.33 -41.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -120.04 141.06 50.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.97 60.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.5 81.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.96 147.0 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -93.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.69 130.54 56.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 86.39 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.8 62.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.26 47.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 107.8 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HA ' HG13 ' B' ' 31' ' ' ILE . 1.9 pp -133.91 132.26 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.417 ' O ' HG12 ' A' ' 32' ' ' ILE . 15.0 tt -153.75 38.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.43 109.38 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -52.73 135.1 35.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.65 84.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.81 140.78 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.34 -112.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.96 134.33 8.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.64 149.9 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.15 99.21 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 mm -98.95 125.97 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.3 100.79 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 101.13 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -104.17 100.47 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.13 101.49 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -104.28 107.52 18.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.15 -36.93 84.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.3 t -150.44 -61.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.92 -79.39 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -154.21 -178.21 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.18 140.21 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -135.62 -56.13 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -55.2 160.56 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -147.26 -74.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 101.3 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.36 118.73 34.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.36 97.34 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.58 -171.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.41 -42.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -120.14 141.04 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.92 -75.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.42 82.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.72 147.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -92.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.26 129.88 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.04 86.8 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.49 63.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.74 47.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.15 109.17 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.431 ' HA ' HG13 ' C' ' 31' ' ' ILE . 1.8 pp -133.71 132.76 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 32' ' ' ILE . 14.4 tt -154.79 38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 110.71 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -53.82 135.59 41.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.33 84.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -146.86 140.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.99 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 133.99 8.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.68 149.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.55 99.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -98.85 125.84 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.22 100.76 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 101.07 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -104.09 100.41 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 101.44 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -104.18 107.5 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.7 71.29 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 11.1 t -88.4 106.06 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.52 -174.76 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.14 46.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.354 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -113.17 36.9 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.92 -35.51 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.95 157.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -113.52 -36.38 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.59 102.25 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.09 118.46 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.28 96.0 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.12 -171.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.96 -42.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -120.5 141.11 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.66 59.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.31 82.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.39 147.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.7 -92.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.38 129.78 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.54 86.25 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 63.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.47 45.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.81 109.6 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' B' ' 31' ' ' ILE . 1.8 pp -132.54 133.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.439 HG12 ' O ' ' C' ' 32' ' ' ILE . 14.0 tt -155.8 38.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.78 111.57 4.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.12 134.81 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.53 85.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -146.51 139.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -111.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.52 133.97 8.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.63 149.88 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.6 99.1 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.16 125.77 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.26 100.75 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.48 101.12 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.18 100.46 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.07 101.42 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -104.22 107.52 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.41 36.35 4.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.91 171.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.6 66.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -162.27 -41.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.885 0.374 . . . . 0.0 110.949 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.19 162.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 m -151.15 -178.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.97 96.34 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -120.85 168.83 11.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.6 101.49 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.78 119.79 37.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.21 98.47 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.91 -171.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.27 -41.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -119.75 141.07 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.13 60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -74.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.47 81.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.06 146.78 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.06 -92.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.72 130.32 56.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.82 86.44 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.03 62.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.44 47.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.0 107.65 19.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.406 ' HA ' HG13 ' E' ' 31' ' ' ILE . 1.9 pp -133.75 132.54 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.429 ' O ' HG12 ' D' ' 32' ' ' ILE . 15.1 tt -154.19 38.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.38 109.67 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -52.78 135.91 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -147.2 140.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.79 -111.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.72 134.31 8.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.42 149.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.29 99.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mm -99.04 126.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.25 100.76 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.51 101.18 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -104.16 100.45 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.09 101.47 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -104.28 107.46 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.56 36.47 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -171.91 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.71 98.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -176.01 175.19 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.334 . . . . 0.0 110.944 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -158.68 160.81 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -55.63 -72.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -76.38 126.21 30.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -155.7 118.37 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.54 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.59 118.8 34.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.26 97.86 5.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.38 -171.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.46 -42.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -120.26 140.92 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.36 81.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.79 147.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.6 -93.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.25 129.88 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.84 86.8 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.4 63.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 47.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.03 109.12 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.447 ' HA ' HG13 ' F' ' 31' ' ' ILE . 1.8 pp -133.66 132.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.435 ' O ' HG12 ' E' ' 32' ' ' ILE . 14.5 tt -154.67 38.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.5 111.1 4.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -53.8 135.43 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.96 84.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 52.0 t -146.82 140.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.93 -111.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 134.01 8.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.6 149.78 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.45 99.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 21.7 mm -98.91 125.89 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.23 100.78 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 101.13 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -104.15 100.39 10.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 101.44 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -104.24 107.53 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -69.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t 52.19 41.15 30.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.04 80.82 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.72 103.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.934 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.72 41.86 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.52 -174.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.81 167.98 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -56.17 -36.15 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.64 101.98 11.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.23 118.51 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.14 96.55 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.82 -171.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.02 -42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.67 140.85 51.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.7 59.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.23 82.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -96.52 147.1 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.62 -92.83 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.48 129.87 56.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.44 86.11 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.87 63.46 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.54 45.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.87 109.63 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.447 HG13 ' HA ' ' E' ' 31' ' ' ILE . 1.8 pp -132.62 133.27 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.432 ' O ' HG12 ' F' ' 32' ' ' ILE . 14.2 tt -155.8 38.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.79 111.94 4.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.22 134.8 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.2 85.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.3 t -146.4 139.84 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.39 -111.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 133.88 8.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.58 149.85 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.52 99.14 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 mm -99.23 125.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.09 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.69 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.78 102.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.42 100.37 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.56 81.56 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.95 -36.19 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.3 m -117.63 -74.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.42 -101.37 2.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -150.0 -171.28 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -80.24 -172.2 3.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.64 150.68 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -75.49 134.52 40.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.65 -170.02 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.55 112.12 17.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 121.11 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.18 106.72 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.92 144.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.78 159.31 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 60.54 175.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.95 -36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.51 35.75 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.21 150.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.82 179.58 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.63 -71.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.56 131.75 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.77 83.65 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.39 66.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.23 35.63 0.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.22 101.17 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' HA ' HG13 ' B' ' 31' ' ' ILE . 1.8 pp -130.43 135.42 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' O ' HG12 ' A' ' 32' ' ' ILE . 19.7 tt -152.73 42.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.83 -120.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.26 111.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.17 35.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.63 150.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.84 12.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 p -177.93 123.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.27 129.86 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.31 133.94 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.4 101.14 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.77 100.75 10.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -102.77 102.57 12.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.45 100.41 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -124.58 81.63 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 t -179.22 -74.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.39 -129.51 5.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -154.58 45.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.05 113.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -151.93 70.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -168.95 163.53 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -108.15 -51.02 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.72 111.46 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 120.45 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.54 106.27 9.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -160.42 143.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.09 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.13 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.6 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.18 35.39 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.61 150.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.92 -179.95 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 -72.32 1.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 131.21 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.56 83.62 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.25 67.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.86 34.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.46 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.413 ' HA ' HG13 ' C' ' 31' ' ' ILE . 1.7 pp -130.01 135.79 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 32' ' ' ILE . 19.2 tt -152.37 41.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.87 -120.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -175.42 111.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 63.94 35.15 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.19 150.93 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 78.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 157.83 11.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -177.91 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.11 130.06 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.0 133.89 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.43 101.14 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.8 10.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.77 102.53 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -103.55 100.47 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -124.64 81.57 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.96 59.26 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 137.91 42.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.29 115.48 7.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -52.22 161.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 61.71 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -80.98 136.47 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -77.74 143.27 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -120.28 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 111.6 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 119.28 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 105.82 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -161.41 143.84 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -95.06 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.98 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.96 35.69 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.83 150.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.84 179.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 -72.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.84 131.18 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.71 82.83 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.0 68.12 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.48 33.14 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.42 103.51 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.297 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.413 HG13 ' HA ' ' B' ' 31' ' ' ILE . 1.7 pp -130.22 136.28 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.457 HG12 ' O ' ' C' ' 32' ' ' ILE . 19.0 tt -152.95 40.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.07 -121.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.84 110.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.91 34.83 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.07 151.58 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.95 79.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.25 158.02 12.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 p -177.99 123.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.63 130.42 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.34 133.77 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.84 0.353 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.14 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.81 100.76 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.77 102.57 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.51 100.38 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.63 81.66 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.87 -37.78 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.61 -46.5 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.9 -107.11 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -155.16 121.14 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.96 151.12 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 91.8 t -115.58 -71.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 73.9 m80 53.37 89.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 112.47 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 121.26 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.78 106.54 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.61 144.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.04 159.61 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 61.17 175.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.51 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -125.31 35.22 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 65.15 150.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.9 179.12 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.69 -71.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.2 131.6 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.31 83.83 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.59 67.19 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.28 35.76 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 100.8 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.325 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.435 ' HA ' HG13 ' E' ' 31' ' ' ILE . 1.8 pp -130.35 135.53 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.415 ' O ' HG12 ' D' ' 32' ' ' ILE . 19.8 tt -153.2 43.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.59 -119.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -174.73 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.77 35.37 11.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.21 150.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 158.06 12.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -177.77 123.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.34 129.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.47 134.13 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.45 101.15 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.71 10.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -102.72 102.49 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.42 100.39 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -124.63 81.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.99 67.6 1.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 p -172.49 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.08 -148.97 32.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -172.74 49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.97 -169.98 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t 63.63 67.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -178.9 37.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -68.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 111.56 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.59 106.42 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.35 143.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.03 158.53 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.14 174.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.53 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.95 35.35 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.42 150.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.87 -179.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 -72.19 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.68 131.32 29.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.52 83.57 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.28 67.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.81 34.49 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.11 102.3 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' D' ' 31' ' ' ILE . 1.7 pp -130.04 135.71 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.446 ' O ' HG12 ' E' ' 32' ' ' ILE . 19.3 tt -152.37 41.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.64 -120.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -175.15 111.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.81 35.29 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.25 150.84 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.11 79.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.84 157.97 11.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 p -177.96 123.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.07 129.97 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.19 133.88 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.804 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.13 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.81 100.83 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.73 102.51 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -103.52 100.43 10.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -124.54 81.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.83 86.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.04 112.24 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.12 93.93 0.16 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.21 164.39 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.15 36.33 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -166.89 128.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -174.93 -172.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.36 -75.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 111.71 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 119.03 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.91 105.59 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -161.36 143.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' HB ' ' F' ' 32' ' ' ILE . 0.1 OUTLIER -94.87 158.51 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 60.03 173.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.49 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.84 35.68 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.78 150.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.85 179.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.26 -72.25 1.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.81 131.24 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.8 82.91 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.09 68.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.61 33.08 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.42 103.4 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.411 HG13 ' HA ' ' E' ' 31' ' ' ILE . 1.7 pp -130.25 136.53 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.448 ' O ' HG12 ' F' ' 32' ' ' ILE . 18.9 tt -153.09 40.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.98 -121.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.61 110.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.81 34.79 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 t -60.95 151.4 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.86 79.17 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.21 158.13 13.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -177.92 123.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.164 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.69 130.32 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.27 133.93 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.784 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.739 0.304 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.705 ' CD ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -126.18 115.61 20.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE2' HG11 ' A' ' 18' ' ' VAL . 12.9 tttt -113.55 96.05 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.3 mp -102.31 102.15 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 16' ' ' LYS . 2.7 p -160.98 143.52 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.22 153.21 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 65.04 -171.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.77 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.33 -69.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -178.85 123.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 24' ' ' VAL . 6.5 m -108.85 -178.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.87 1.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -140.92 131.68 25.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.25 83.03 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 65.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 125.77 35.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.71 107.56 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.55 138.1 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.6 tt -141.57 87.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.74 132.84 4.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -78.86 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.64 ' HE3' HD11 ' E' ' 34' ' ' LEU . 3.1 tmm? 63.43 41.53 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.634 HG13 ' O ' ' B' ' 36' ' ' VAL . 87.7 t -100.71 88.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.53 94.68 2.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.69 115.01 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.596 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -177.04 123.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.71 126.56 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.0 mp -128.87 130.15 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.658 ' CD ' HD13 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -126.3 115.32 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.492 ' HE2' HG11 ' B' ' 18' ' ' VAL . 12.9 tttt -113.54 95.44 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.658 HD13 ' CD ' ' B' ' 15' ' ' GLN . 6.5 mp -103.22 101.81 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -160.1 142.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -94.14 152.22 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 64.58 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.66 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -113.33 -68.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.23 123.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 24' ' ' VAL . 6.5 m -109.51 -178.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.09 1.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.6 131.28 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.91 83.06 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 124.96 34.48 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.07 107.33 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -135.64 137.71 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 17' ' ' LEU . 9.4 tt -142.44 86.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.4 132.93 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.5 HD13 ' CE ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -78.84 137.78 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.653 ' HE3' HD11 ' F' ' 34' ' ' LEU . 3.1 tmm? 63.72 41.36 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 36' ' ' VAL . 85.2 t -101.18 88.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.3 95.35 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.83 114.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.596 HG13 HG23 ' A' ' 39' ' ' VAL . 6.6 p -177.47 123.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 0.0 111.14 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.53 126.38 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.0 mp -128.89 130.17 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.736 0.303 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.548 ' CG ' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -126.28 114.92 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.68 93.94 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' C' ' 15' ' ' GLN . 6.6 mp -104.42 101.91 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.9 p -160.7 143.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.678 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -94.4 152.66 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 64.25 -173.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.78 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.88 -68.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.18 123.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.438 HG12 HG22 ' B' ' 24' ' ' VAL . 6.0 m -109.57 -178.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.07 1.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -141.85 131.27 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.809 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.08 82.6 3.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.55 66.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.503 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 124.59 33.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.38 107.81 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -136.48 137.89 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' B' ' 17' ' ' LEU . 9.4 tt -144.06 85.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.18 132.53 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.515 HD23 HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -79.14 138.09 37.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.455 ' HB2' HD22 ' F' ' 34' ' ' LEU . 3.1 tmm? 64.61 40.97 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 36' ' ' VAL . 85.6 t -101.65 88.48 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.62 95.03 2.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.76 114.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 31' ' ' ILE . 6.6 p -177.52 123.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.56 126.66 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.503 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.0 mp -128.73 130.17 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.686 ' CD ' HD13 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -127.32 114.99 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.494 ' HE2' HG11 ' D' ' 18' ' ' VAL . 12.9 tttt -113.54 95.82 5.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.781 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.5 mp -102.36 102.08 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' D' ' 16' ' ' LYS . 2.7 p -161.22 143.19 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.5 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -94.68 153.58 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 65.29 -171.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.64 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -112.43 -69.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.54 123.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.46 HG22 HG12 ' E' ' 24' ' ' VAL . 6.4 m -109.19 -178.42 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.57 -68.38 1.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -140.79 131.59 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.74 83.16 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.29 65.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.519 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 125.93 35.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.69 107.38 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.64 138.23 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.625 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.5 tt -141.38 87.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.414 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -149.14 132.56 4.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -78.58 137.37 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.5 ' CE ' HD13 ' B' ' 34' ' ' LEU . 3.1 tmm? 63.75 41.8 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.651 HG13 ' O ' ' E' ' 36' ' ' VAL . 86.7 t -100.94 88.51 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 94.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.48 115.07 1.83 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.613 HG23 HG13 ' E' ' 39' ' ' VAL . 6.5 p -176.84 123.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.71 126.46 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.519 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.0 mp -128.9 130.1 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 36.1 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.748 0.308 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.605 ' CD ' HD13 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -125.69 114.82 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.488 ' HE2' HG11 ' E' ' 18' ' ' VAL . 13.1 tttt -113.94 95.64 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.6 mp -103.53 102.07 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -159.93 143.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.631 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -93.96 152.21 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.52 -172.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.58 -45.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.2 -68.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.17 123.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.46 HG12 HG22 ' D' ' 24' ' ' VAL . 6.1 m -109.54 -178.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.65 -69.04 1.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.57 131.36 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 83.09 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 66.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.565 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 124.61 34.66 0.69 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -78.92 107.35 11.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -135.51 137.72 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' D' ' 17' ' ' LEU . 9.3 tt -142.05 86.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 132.38 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.64 HD11 ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -78.85 137.83 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.498 ' CE ' HD13 ' C' ' 34' ' ' LEU . 3.1 tmm? 63.89 41.16 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.651 ' O ' HG13 ' D' ' 36' ' ' VAL . 84.2 t -101.19 88.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.32 95.16 2.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.9 114.35 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.613 HG13 HG23 ' D' ' 39' ' ' VAL . 6.7 p -177.5 123.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.66 126.54 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.565 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.0 mp -128.93 130.11 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.26 -71.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.538 ' CG ' HD13 ' F' ' 17' ' ' LEU . 0.8 OUTLIER -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -113.82 92.97 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.563 HD11 HD22 ' E' ' 17' ' ' LEU . 6.4 mp -104.59 101.81 11.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.517 ' O ' HG23 ' E' ' 18' ' ' VAL . 3.0 p -160.48 143.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.671 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.21 152.56 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 64.28 -173.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.84 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -113.79 -68.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -179.21 123.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 6.2 m -109.6 -178.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.44 -69.06 1.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.86 131.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.04 82.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 124.68 33.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.671 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.36 107.8 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.567 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -136.58 138.02 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' E' ' 17' ' ' LEU . 9.3 tt -143.95 86.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 132.7 4.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.653 HD11 ' HE3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -79.19 137.86 37.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.06 41.28 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.538 ' O ' HG13 ' E' ' 36' ' ' VAL . 84.8 t -101.57 88.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 95.37 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.78 114.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.494 HG21 HG21 ' F' ' 31' ' ' ILE . 6.6 p -177.49 123.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.53 126.55 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.521 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.0 mp -128.87 130.21 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.848 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.775 0.321 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.51 103.32 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.3 113.1 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.2 mp -116.21 96.75 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.893 HG12 HG22 ' B' ' 18' ' ' VAL . 9.4 m -132.84 -171.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.44 -55.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.9 m-85 -112.09 137.49 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.25 33.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.84 -169.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.75 95.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 20' ' ' PHE . 13.1 p -107.44 148.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.75 -111.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 140.8 39.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.87 97.84 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 111.0 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.21 13.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.39 110.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.1 pp -133.47 131.8 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 18' ' ' VAL . 2.6 tt -150.22 88.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.17 127.18 2.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' D' ' 34' ' ' LEU . 3.0 mp -62.54 134.17 55.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.59 ' HB2' HD21 ' D' ' 34' ' ' LEU . 4.0 ttt 61.38 90.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -149.37 143.79 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.49 -127.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 174.91 30.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 39' ' ' VAL . 18.3 m -148.73 142.34 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.716 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.0 t -138.04 111.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 40' ' ' VAL . 21.9 mm -130.05 131.17 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.761 0.315 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.54 103.29 13.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.19 112.58 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.793 ' HB3' HD11 ' C' ' 32' ' ' ILE . 6.2 mp -116.75 96.54 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.911 HG12 HG22 ' C' ' 18' ' ' VAL . 8.7 m -132.93 -171.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.44 -55.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.516 ' CD1' HG21 ' B' ' 24' ' ' VAL . 34.2 m-85 -111.92 137.37 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.22 32.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.74 -169.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.8 p -107.43 148.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.96 -111.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 140.03 40.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.0 98.83 10.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 111.25 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 77.23 44.18 14.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.56 109.21 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.695 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.1 pp -133.34 131.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 17' ' ' LEU . 2.7 tt -149.64 88.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.82 127.24 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' D' ' 35' ' ' MET . 3.1 mp -62.69 134.18 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.603 ' HB2' HD21 ' E' ' 34' ' ' LEU . 4.0 ttt 61.13 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.2 143.84 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.84 -128.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 174.52 30.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.424 HG12 HG22 ' C' ' 39' ' ' VAL . 18.3 m -148.59 141.86 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.701 ' O ' HD13 ' B' ' 41' ' ' ILE . 26.0 t -137.71 111.99 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.701 HD13 ' O ' ' B' ' 40' ' ' VAL . 21.8 mm -129.57 131.19 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.721 0.296 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -102.63 103.25 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.27 112.49 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.472 HD11 HD22 ' B' ' 17' ' ' LEU . 6.3 mp -116.83 96.42 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.911 HG22 HG12 ' B' ' 18' ' ' VAL . 10.2 m -133.15 -171.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.5 OUTLIER -151.63 -54.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' C' ' 24' ' ' VAL . 30.1 m-85 -111.94 137.2 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.64 -169.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.565 HG23 ' CG1' ' B' ' 24' ' ' VAL . 13.1 p -107.36 148.51 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.97 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 140.19 40.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.04 98.83 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.24 111.0 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 76.97 42.97 18.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.47 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -97.75 108.61 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.668 HD11 ' HB ' ' B' ' 31' ' ' ILE . 2.0 pp -133.27 132.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.793 HD11 ' HB3' ' B' ' 17' ' ' LEU . 2.7 tt -149.94 88.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.66 127.06 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -62.76 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.503 ' HB2' HD21 ' F' ' 34' ' ' LEU . 4.0 ttt 61.19 90.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -149.19 144.1 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 -128.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 174.24 29.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.424 HG22 HG12 ' B' ' 39' ' ' VAL . 18.6 m -148.85 142.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.718 ' O ' HD13 ' C' ' 41' ' ' ILE . 25.9 t -137.81 111.87 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.718 HD13 ' O ' ' C' ' 40' ' ' VAL . 22.0 mm -130.03 131.22 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.449 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 21.2 mp0 -102.56 103.5 13.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.775 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.2 mp -116.43 96.53 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.826 HG12 HG22 ' E' ' 18' ' ' VAL . 9.8 m -132.9 -171.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.52 -54.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' D' ' 24' ' ' VAL . 32.2 m-85 -112.01 137.24 50.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 33.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -180.0 -169.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 94.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' D' ' 20' ' ' PHE . 13.3 p -107.54 148.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.72 -111.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.97 140.75 39.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.55 97.98 10.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 111.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.68 44.51 12.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.55 109.97 21.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.719 ' HB ' HD11 ' E' ' 31' ' ' ILE . 2.1 pp -133.45 131.67 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.694 HD13 ' O ' ' D' ' 18' ' ' VAL . 2.6 tt -150.07 88.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.93 127.21 2.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 35' ' ' MET . 3.0 mp -62.37 133.83 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.569 ' HB2' HD21 ' B' ' 34' ' ' LEU . 4.0 ttt 61.35 90.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.36 143.76 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.26 -128.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.82 175.0 30.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.421 HG12 HG22 ' E' ' 39' ' ' VAL . 18.2 m -148.57 142.28 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.727 ' O ' HD13 ' D' ' 41' ' ' ILE . 26.1 t -137.68 111.72 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.727 HD13 ' O ' ' D' ' 40' ' ' VAL . 21.9 mm -130.1 131.07 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.7 m80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.773 0.321 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.49 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -111.13 112.74 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.797 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.3 mp -116.48 96.77 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.844 HG12 HG22 ' F' ' 18' ' ' VAL . 9.0 m -132.64 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.3 -55.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' E' ' 24' ' ' VAL . 34.4 m-85 -111.97 137.4 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 32.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -169.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' F' ' 24' ' ' VAL . 12.8 p -107.46 148.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.99 -111.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 139.93 40.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.91 98.82 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.26 111.2 15.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' D' ' 41' ' ' ILE . . . 77.26 44.16 14.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.47 109.26 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' D' ' 31' ' ' ILE . 2.1 pp -133.32 131.82 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' D' ' 17' ' ' LEU . 2.7 tt -149.59 88.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.62 127.14 2.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' B' ' 35' ' ' MET . 3.0 mp -62.54 134.1 55.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.554 ' HB2' HD21 ' C' ' 34' ' ' LEU . 4.0 ttt 61.07 90.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -149.2 143.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.89 -128.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.02 174.62 30.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.421 HG22 HG12 ' D' ' 39' ' ' VAL . 18.5 m -148.5 141.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.715 ' O ' HD13 ' E' ' 41' ' ' ILE . 26.0 t -137.68 111.91 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.715 HD13 ' O ' ' E' ' 40' ' ' VAL . 21.9 mm -129.65 131.19 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.99 -46.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.57 103.41 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.22 112.6 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.446 HD11 HD22 ' E' ' 17' ' ' LEU . 6.3 mp -116.65 96.59 5.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.844 HG22 HG12 ' E' ' 18' ' ' VAL . 10.2 m -132.94 -172.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.472 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -151.61 -54.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' F' ' 24' ' ' VAL . 29.9 m-85 -111.93 137.12 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.56 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 -169.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.89 95.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.527 HG23 ' CG1' ' E' ' 24' ' ' VAL . 13.2 p -107.32 148.46 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.92 -111.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.17 98.86 10.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.28 110.95 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.423 ' HA3' HG21 ' E' ' 41' ' ' ILE . . . 77.04 42.99 18.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.472 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -97.86 108.73 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' E' ' 31' ' ' ILE . 2.0 pp -133.33 132.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.797 HD11 ' HB3' ' E' ' 17' ' ' LEU . 2.7 tt -149.99 88.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.7 127.11 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -62.77 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.31 90.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.0 t -149.23 143.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.8 -128.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.45 174.36 29.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.79 142.01 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.719 ' O ' HD13 ' F' ' 41' ' ' ILE . 26.0 t -137.79 111.86 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.719 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.2 mm -130.07 131.19 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.0 114.3 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 97.04 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.4 mp -102.81 105.82 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 18' ' ' VAL . 2.6 p -160.32 135.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -91.83 150.31 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 24' ' ' VAL . 8.9 m-85 66.75 120.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 -33.93 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -72.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.72 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.67 HG22 HG12 ' B' ' 24' ' ' VAL . 4.0 m -127.67 -178.69 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -75.46 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.02 127.72 49.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.08 91.05 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -108.13 88.21 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' N ' HG21 ' A' ' 41' ' ' ILE . . . 102.08 33.3 4.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -79.1 106.61 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 111.084 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.68 137.16 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.0 tt -144.83 86.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.48 -119.53 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.63 113.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 63.79 34.08 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.65 132.77 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.85 -103.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.12 164.15 22.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 HG13 ' B' ' 39' ' ' VAL . 5.5 p -177.47 121.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.01 130.41 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 29' ' ' GLY . 2.4 mp -134.03 127.46 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.1 114.49 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.39 96.57 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.574 HD22 HD11 ' C' ' 17' ' ' LEU . 9.3 mp -103.22 105.76 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -158.8 135.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.601 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -90.57 149.78 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 66.37 119.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -34.13 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.62 -71.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.68 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.67 HG12 HG22 ' A' ' 24' ' ' VAL . 3.9 m -127.91 -178.89 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -75.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.84 127.16 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.11 91.12 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.43 88.59 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.549 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 101.58 32.59 5.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.601 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.53 107.06 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -135.35 137.73 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 17' ' ' LEU . 8.6 tt -144.89 85.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.23 -120.22 2.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.81 113.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.435 ' CB ' HD21 ' E' ' 34' ' ' LEU . 3.9 ttt 64.09 33.63 11.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.37 133.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.69 -103.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.73 163.61 21.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.544 HG13 HG23 ' A' ' 39' ' ' VAL . 5.6 p -177.89 121.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.77 130.66 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.549 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.4 mp -133.69 127.41 52.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.762 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.713 0.292 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.02 114.69 26.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 95.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.574 HD11 HD22 ' B' ' 17' ' ' LEU . 9.4 mp -103.81 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.563 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.8 p -158.6 135.68 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -90.56 150.27 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.21 117.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.3 -34.82 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -70.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.4 137.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.651 HG12 HG22 ' B' ' 24' ' ' VAL . 3.5 m -127.87 -179.05 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.72 -75.36 1.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.11 127.09 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.15 90.4 7.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.85 89.03 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.517 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 101.09 31.67 5.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.87 107.8 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.5 pp -136.14 138.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.491 HG23 ' O ' ' C' ' 32' ' ' ILE . 7.9 tt -145.73 85.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.95 -120.51 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 112.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.504 ' HE1' ' HB3' ' F' ' 15' ' ' GLN . 3.9 ttt 64.04 34.26 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.66 133.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -104.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 163.55 21.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -177.94 121.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.74 130.65 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.517 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.4 mp -133.96 127.35 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.74 0.305 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.16 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 96.89 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.4 mp -102.92 105.44 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' E' ' 18' ' ' VAL . 2.7 p -160.49 135.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -91.44 150.67 21.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.405 ' CE1' HG21 ' D' ' 24' ' ' VAL . 9.0 m-85 66.96 120.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 -33.6 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.67 -72.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 179.92 137.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.638 HG22 HG12 ' E' ' 24' ' ' VAL . 4.0 m -127.78 -179.03 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.5 -74.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -122.93 127.43 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.68 91.13 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.48 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.556 ' N ' HG21 ' D' ' 41' ' ' ILE . . . 102.29 33.29 4.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -79.12 106.44 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.606 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.67 137.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.597 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.0 tt -145.11 86.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 -119.22 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.41 113.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.24 34.03 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.55 132.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.99 -103.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 164.18 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.568 HG23 HG13 ' E' ' 39' ' ' VAL . 5.4 p -177.22 121.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.98 130.33 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.556 HG21 ' N ' ' D' ' 29' ' ' GLY . 2.4 mp -133.98 127.5 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.801 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.733 0.302 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.27 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 96.61 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.579 HD22 HD11 ' F' ' 17' ' ' LEU . 9.3 mp -103.42 105.64 15.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.551 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -158.69 135.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.599 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -90.49 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.42 119.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 -33.93 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.8 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.638 HG12 HG22 ' D' ' 24' ' ' VAL . 3.7 m -127.98 -178.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.58 -75.49 1.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.82 127.26 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.02 91.13 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.7 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.563 ' N ' HG21 ' E' ' 41' ' ' ILE . . . 101.4 32.67 5.11 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.44 107.16 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.607 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.6 pp -135.45 137.62 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' D' ' 17' ' ' LEU . 8.6 tt -144.71 85.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 -119.97 2.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' B' ' 35' ' ' MET . 0.4 OUTLIER -178.68 113.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 63.85 34.17 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.44 133.45 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -103.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.57 21.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.568 HG13 HG23 ' D' ' 39' ' ' VAL . 5.6 p -177.84 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.82 130.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.563 HG21 ' N ' ' E' ' 29' ' ' GLY . 2.4 mp -133.82 127.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.758 0.314 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -148.39 -74.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.504 ' HB3' ' HE1' ' C' ' 35' ' ' MET . 3.7 mp0 -96.88 114.54 26.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 95.51 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.579 HD11 HD22 ' E' ' 17' ' ' LEU . 9.4 mp -103.99 106.35 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.551 ' O ' HG23 ' E' ' 18' ' ' VAL . 2.7 p -158.57 135.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.626 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -90.51 150.3 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 66.21 117.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.25 -34.78 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.38 -70.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.46 137.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.636 HG12 HG22 ' E' ' 24' ' ' VAL . 3.6 m -127.91 -179.06 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.7 -75.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.07 127.13 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.14 90.47 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.93 89.0 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.544 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 101.06 31.71 5.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.626 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.84 107.84 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.607 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.5 pp -136.18 138.39 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' F' ' 32' ' ' ILE . 7.8 tt -145.68 85.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 -120.56 2.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' C' ' 35' ' ' MET . 0.4 OUTLIER -179.2 113.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.07 34.23 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.64 133.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.44 -104.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.7 163.62 21.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.521 HG13 HG23 ' E' ' 39' ' ' VAL . 5.5 p -177.98 121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.76 130.71 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.544 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.4 mp -133.92 127.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.705 0.288 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.471 HE22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -107.6 98.24 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 115.71 23.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.83 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.6 mp -112.95 106.65 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.768 HG12 HG22 ' B' ' 18' ' ' VAL . 5.0 m -139.85 -178.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -132.31 -37.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -173.92 162.55 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.07 68.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.14 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.5 55.54 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.489 HG21 ' OD1' ' A' ' 27' ' ' ASN . 7.1 p -65.61 145.46 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -87.39 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -131.54 127.96 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.822 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG21 ' A' ' 24' ' ' VAL . 30.3 m-20 -95.44 83.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 58.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.88 34.15 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.47 114.19 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -140.43 135.68 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.706 HD13 ' O ' ' A' ' 18' ' ' VAL . 3.3 tt -148.64 83.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -134.1 143.55 15.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 123.89 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.725 ' HE3' HD13 ' D' ' 34' ' ' LEU . 2.9 tmm? 64.64 50.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 33' ' ' GLY . 86.4 t -91.25 143.47 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.34 -139.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.86 174.89 42.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.894 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -178.26 127.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.28 130.38 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.9 mt -132.42 136.18 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.482 HE22 HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -107.69 98.07 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 115.75 23.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.6 mp -112.91 106.79 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.768 HG22 HG12 ' A' ' 18' ' ' VAL . 6.8 m -140.16 -178.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.524 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -131.58 -38.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.34 163.07 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.01 68.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.42 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.47 56.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' B' ' 27' ' ' ASN . 7.3 p -65.33 145.65 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.43 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -81.08 -87.38 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -132.33 126.63 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' B' ' 24' ' ' VAL . 30.5 m-20 -95.81 84.63 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.16 59.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 126.7 32.9 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.83 113.95 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.598 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -139.83 136.32 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.83 HD11 ' HB3' ' A' ' 17' ' ' LEU . 3.7 tt -149.01 82.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.576 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -134.43 143.68 15.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -79.15 124.16 28.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.715 ' HE3' HD13 ' E' ' 34' ' ' LEU . 3.0 tmm? 64.14 50.54 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 33' ' ' GLY . 89.5 t -90.99 143.27 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.18 -139.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.03 174.72 43.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.894 HG13 HG23 ' A' ' 39' ' ' VAL . 4.2 p -178.31 127.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.3 t -121.74 130.72 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.9 mt -132.24 136.03 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.505 HE22 HD13 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -107.68 98.73 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.81 115.33 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.505 HD13 HE22 ' C' ' 15' ' ' GLN . 1.6 mp -113.66 105.98 13.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.763 HG22 HG12 ' B' ' 18' ' ' VAL . 11.0 m -140.28 -177.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.581 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -131.56 -38.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -173.75 163.45 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.29 67.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.96 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.58 56.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' C' ' 27' ' ' ASN . 7.2 p -64.86 146.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' B' ' 24' ' ' VAL . . . -80.95 -87.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.48 126.42 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' C' ' 24' ' ' VAL . 31.5 m-20 -96.35 85.01 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.81 59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.528 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 126.43 31.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.54 113.87 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -139.68 137.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' B' ' 17' ' ' LEU . 3.7 tt -150.04 82.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.54 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -135.0 142.81 14.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.647 HD13 ' HE3' ' E' ' 35' ' ' MET . 0.2 OUTLIER -79.96 124.23 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.751 ' HE3' HD13 ' F' ' 34' ' ' LEU . 3.0 tmm? 64.68 50.36 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.54 HG23 ' O ' ' C' ' 33' ' ' GLY . 89.0 t -91.79 143.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.22 -139.76 1.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.32 174.83 43.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.891 HG13 HG23 ' B' ' 39' ' ' VAL . 4.2 p -178.36 127.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.36 131.1 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.528 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.9 mt -132.12 136.17 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.46 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.711 0.291 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.489 HE22 HD13 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -107.67 98.12 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.82 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.821 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -112.99 106.9 15.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.727 HG12 HG22 ' E' ' 18' ' ' VAL . 5.3 m -139.64 -178.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.404 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.5 OUTLIER -132.29 -37.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -173.72 162.55 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 68.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.08 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.57 55.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.505 HG21 ' OD1' ' D' ' 27' ' ' ASN . 7.2 p -65.85 145.48 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.29 -87.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -131.51 127.64 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' D' ' 24' ' ' VAL . 30.6 m-20 -94.96 83.69 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.99 59.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 127.17 34.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.404 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.68 113.96 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -140.39 135.6 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.699 HD13 ' O ' ' D' ' 18' ' ' VAL . 3.3 tt -148.96 84.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.577 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -133.71 143.81 15.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.725 HD13 ' HE3' ' A' ' 35' ' ' MET . 0.2 OUTLIER -78.12 123.29 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.621 ' HB2' HD21 ' B' ' 34' ' ' LEU . 2.9 tmm? 64.44 50.89 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.577 HG23 ' O ' ' D' ' 33' ' ' GLY . 86.6 t -91.47 143.6 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 -139.72 1.86 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.0 175.08 42.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' E' ' 39' ' ' VAL . 4.3 p -178.03 127.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -122.2 130.42 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.9 mt -132.61 136.24 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.774 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.484 HE22 HD13 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -107.64 98.0 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.62 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -112.88 107.03 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.743 HG12 HG22 ' F' ' 18' ' ' VAL . 6.4 m -139.89 -178.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -131.63 -38.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.43 163.03 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.17 68.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.4 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.27 56.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.536 HG21 ' OD1' ' E' ' 27' ' ' ASN . 7.3 p -65.43 145.56 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' D' ' 24' ' ' VAL . . . -81.14 -87.4 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.32 126.68 33.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.536 ' OD1' HG21 ' E' ' 24' ' ' VAL . 29.5 m-20 -95.74 84.44 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.13 59.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 126.7 32.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.78 113.97 18.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.83 136.27 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.821 HD11 ' HB3' ' D' ' 17' ' ' LEU . 3.7 tt -148.9 83.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.57 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -134.0 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.715 HD13 ' HE3' ' B' ' 35' ' ' MET . 0.3 OUTLIER -78.95 124.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.955 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.647 ' HE3' HD13 ' C' ' 34' ' ' LEU . 2.9 tmm? 64.05 50.65 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.57 HG23 ' O ' ' E' ' 33' ' ' GLY . 89.5 t -91.04 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.21 -139.62 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 174.81 43.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' D' ' 39' ' ' VAL . 4.2 p -178.21 127.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.82 130.64 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.546 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.9 mt -132.34 136.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.425 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -76.91 -38.32 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.76 98.45 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' E' ' 17' ' ' LEU . 1.6 mp -113.89 106.14 14.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.743 HG22 HG12 ' E' ' 18' ' ' VAL . 10.9 m -140.04 -177.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.582 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -131.49 -38.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -173.85 163.37 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.38 67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.98 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.65 56.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.543 HG21 ' OD1' ' F' ' 27' ' ' ASN . 7.2 p -64.95 146.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.456 ' H ' HG13 ' E' ' 24' ' ' VAL . . . -80.9 -87.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -132.5 126.41 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.543 ' OD1' HG21 ' F' ' 24' ' ' VAL . 31.2 m-20 -96.15 84.82 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.72 59.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.512 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 126.42 31.72 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.537 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.56 113.76 18.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.572 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -139.62 137.37 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' E' ' 17' ' ' LEU . 3.7 tt -149.91 82.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.525 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -134.76 143.2 14.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.751 HD13 ' HE3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -79.92 124.09 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.94 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.25 50.62 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' F' ' 33' ' ' GLY . 90.2 t -91.66 143.97 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -139.8 1.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.17 174.89 43.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -178.3 127.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.64 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.512 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.9 mt -132.29 136.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.425 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.751 ' OE1' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -99.09 104.28 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.18 117.23 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD13 ' OE1' ' A' ' 15' ' ' GLN . 1.5 mp -115.05 106.29 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.587 HG23 HG13 ' B' ' 18' ' ' VAL . 8.5 p -138.02 160.3 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 18' ' ' VAL . 1.9 t80 -119.46 -50.19 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.5 m-85 -106.78 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.54 146.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 51.42 72.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.798 HG21 ' CD1' ' A' ' 20' ' ' PHE . 8.3 p -117.77 138.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.46 -122.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -102.36 140.22 36.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -100.26 82.61 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -104.98 84.78 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.641 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 104.77 31.26 4.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 113.45 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.627 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -139.37 135.93 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.711 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -141.8 80.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -135.79 137.52 9.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 128.7 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.594 ' CE ' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 64.58 46.9 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' GLY . 99.4 t -94.44 144.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.61 -158.46 15.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.49 166.53 2.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.34 141.83 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' A' ' 41' ' ' ILE . 38.9 t -133.32 109.36 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 40' ' ' VAL . 19.0 mm -134.14 123.23 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.762 0.315 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.764 ' OE1' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -99.12 104.11 16.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.76 116.92 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.764 HD13 ' OE1' ' B' ' 15' ' ' GLN . 1.5 mp -115.46 105.57 12.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.632 HG23 HG13 ' C' ' 18' ' ' VAL . 8.2 p -138.48 160.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.8 t80 -119.79 -50.78 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' B' ' 24' ' ' VAL . 30.3 m-85 -106.26 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.84 146.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 51.11 73.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' B' ' 20' ' ' PHE . 8.7 p -117.34 137.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.8 -121.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -102.79 139.28 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.29 83.44 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.47 85.08 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.605 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 104.25 30.55 5.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.57 112.66 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.627 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -139.56 135.96 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.729 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.9 tt -142.8 80.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.519 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -135.42 137.67 9.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.68 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.616 ' CE ' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 64.57 46.81 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 33' ' ' GLY . 99.8 t -94.36 144.39 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.32 -158.67 14.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.51 166.19 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.62 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.663 ' O ' HD13 ' B' ' 41' ' ' ILE . 38.9 t -133.02 109.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.663 HD13 ' O ' ' B' ' 40' ' ' VAL . 18.3 mm -133.67 123.5 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.756 0.312 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.768 ' OE1' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -99.28 104.6 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 117.02 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.768 HD13 ' OE1' ' C' ' 15' ' ' GLN . 1.4 mp -115.92 104.81 11.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.632 HG13 HG23 ' B' ' 18' ' ' VAL . 8.4 p -139.99 160.33 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.073 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.729 ' HE1' HG22 ' B' ' 32' ' ' ILE . 1.9 t80 -120.59 -50.12 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' C' ' 24' ' ' VAL . 27.1 m-85 -105.28 -173.21 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.53 -45.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.84 145.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.92 73.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.666 HG21 ' CD1' ' C' ' 20' ' ' PHE . 8.7 p -117.15 137.69 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.73 -121.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -102.93 139.03 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.83 82.78 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.89 85.53 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 104.07 29.3 5.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -79.63 112.86 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.611 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -140.23 135.94 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' B' ' 17' ' ' LEU . 13.9 tt -144.13 79.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.517 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -136.17 137.91 9.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.439 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.6 ' CE ' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 64.96 47.07 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.517 HG23 ' O ' ' C' ' 33' ' ' GLY . 99.3 t -94.97 144.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -158.74 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 166.39 2.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.3 141.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.646 ' O ' HD13 ' C' ' 41' ' ' ILE . 39.2 t -133.44 109.56 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.646 HD13 ' O ' ' C' ' 40' ' ' VAL . 20.0 mm -134.01 123.36 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.756 ' OE1' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -99.16 104.48 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 117.4 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.756 HD13 ' OE1' ' D' ' 15' ' ' GLN . 1.4 mp -114.81 106.67 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.555 HG23 HG13 ' E' ' 18' ' ' VAL . 8.6 p -137.94 160.37 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.415 ' N ' HG22 ' D' ' 18' ' ' VAL . 2.0 t80 -118.93 -49.95 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CD1' HG21 ' D' ' 24' ' ' VAL . 31.8 m-85 -106.58 -172.24 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.5 -45.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.67 147.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 51.52 71.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CD1' ' D' ' 20' ' ' PHE . 8.2 p -118.24 137.87 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -121.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -102.48 140.18 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -99.67 82.58 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -105.03 84.94 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.653 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 104.87 31.26 4.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 113.78 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.623 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -139.43 136.0 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.0 tt -141.59 80.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.516 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -135.42 137.46 9.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.438 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -80.2 128.53 33.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 110.929 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.43 47.13 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 33' ' ' GLY . 96.6 t -94.61 144.25 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.56 -158.32 14.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.42 166.49 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.94 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.656 ' O ' HD13 ' D' ' 41' ' ' ILE . 38.9 t -133.08 109.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.656 HD13 ' O ' ' D' ' 40' ' ' VAL . 19.2 mm -134.02 123.25 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.767 ' OE1' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -99.05 104.27 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 116.74 25.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' E' ' 15' ' ' GLN . 1.5 mp -115.73 105.89 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.653 HG23 HG13 ' F' ' 18' ' ' VAL . 8.1 p -138.16 160.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.8 t80 -119.44 -51.09 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' E' ' 24' ' ' VAL . 31.0 m-85 -106.35 -172.55 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.1 -44.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.81 146.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 51.08 72.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' E' ' 20' ' ' PHE . 8.8 p -117.35 137.75 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -121.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -102.85 139.4 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.11 83.35 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.48 84.94 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.618 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 104.32 30.56 4.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.57 113.08 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.57 136.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.9 tt -142.5 80.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.507 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -135.36 137.57 9.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.616 HD13 ' CE ' ' B' ' 35' ' ' MET . 0.3 OUTLIER -80.59 128.64 33.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.2 47.04 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' E' ' 33' ' ' GLY . 99.2 t -94.38 144.57 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.24 -158.61 13.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.61 166.38 2.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' E' ' 41' ' ' ILE . 39.0 t -132.98 109.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' E' ' 40' ' ' VAL . 18.6 mm -133.86 123.45 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -54.42 -37.92 65.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.757 ' OE1' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -99.0 104.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 116.43 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.757 HD13 ' OE1' ' F' ' 15' ' ' GLN . 1.4 mp -116.26 104.78 11.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.653 HG13 HG23 ' E' ' 18' ' ' VAL . 8.3 p -139.71 160.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' E' ' 32' ' ' ILE . 1.9 t80 -120.37 -50.36 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.672 ' CD1' HG21 ' F' ' 24' ' ' VAL . 27.6 m-85 -105.42 -173.25 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.62 -45.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.85 145.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.88 73.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' F' ' 20' ' ' PHE . 8.8 p -117.19 137.8 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.68 -121.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -103.01 139.16 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.71 82.75 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.9 85.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 104.17 29.34 5.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -79.75 113.0 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -140.12 136.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.564 HG13 HG23 ' E' ' 32' ' ' ILE . 13.9 tt -143.98 79.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.512 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -135.93 138.05 9.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.6 HD13 ' CE ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -80.54 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.51 47.08 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.512 HG23 ' O ' ' F' ' 33' ' ' GLY . 99.5 t -94.66 144.41 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.57 -158.74 15.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.79 166.43 2.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.32 141.74 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.65 ' O ' HD13 ' F' ' 41' ' ' ILE . 39.0 t -133.25 109.4 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.65 HD13 ' O ' ' F' ' 40' ' ' VAL . 19.8 mm -134.0 123.31 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.719 0.295 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 103.83 12.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 32' ' ' ILE . 8.9 mp -104.38 96.56 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.891 HG12 HG22 ' B' ' 18' ' ' VAL . 5.8 m -139.41 175.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -138.3 -41.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 24' ' ' VAL . 12.4 m-85 -129.8 141.51 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.0 33.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.12 53.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.39 118.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 20' ' ' PHE . 9.9 p -140.31 143.76 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.86 -115.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.83 136.51 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.15 89.12 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.17 69.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.552 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 114.23 53.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -99.1 114.53 27.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.648 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -138.23 134.79 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.548 HG22 ' HE1' ' B' ' 19' ' ' PHE . 11.4 tt -141.38 84.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.09 155.13 23.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' D' ' 34' ' ' LEU . 0.2 OUTLIER -102.42 126.36 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.588 ' HB2' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 66.45 36.95 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.15 148.02 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.63 -147.76 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.24 166.01 51.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 31' ' ' ILE . 97.0 t -150.22 141.7 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.22 123.58 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.7 mt -130.42 136.53 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.02 110.84 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.22 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' B' ' 34' ' ' LEU . 9.0 mp -105.14 96.37 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.891 HG22 HG12 ' A' ' 18' ' ' VAL . 5.9 m -139.6 175.41 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -138.61 -41.78 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.707 ' CD1' HG21 ' B' ' 24' ' ' VAL . 13.5 m-85 -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.76 33.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.91 54.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.12 119.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -140.15 143.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.58 -114.7 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.31 135.45 46.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -100.66 89.47 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.76 70.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 113.52 53.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -101.0 113.73 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.648 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -137.94 134.78 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.564 HG22 ' HE1' ' C' ' 19' ' ' PHE . 11.7 tt -141.73 83.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.8 23.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' E' ' 35' ' ' MET . 0.2 OUTLIER -102.41 126.39 49.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.594 ' HB2' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 66.56 36.97 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 148.28 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.44 -147.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.42 165.95 50.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.561 HG11 HG21 ' B' ' 31' ' ' ILE . 99.1 t -150.31 141.75 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.04 123.75 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.7 mt -130.4 136.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.536 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 m170 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.81 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.75 103.37 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.606 HD21 ' CD2' ' C' ' 34' ' ' LEU . 9.0 mp -105.12 96.27 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.873 HG22 HG12 ' B' ' 18' ' ' VAL . 6.5 m -139.59 175.02 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -138.76 -41.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' C' ' 24' ' ' VAL . 10.2 m-85 -129.68 140.91 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.17 32.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.45 54.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.07 119.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.676 HG21 ' CD1' ' C' ' 20' ' ' PHE . 9.9 p -139.18 142.97 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.188 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -113.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.44 134.44 48.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.9 0.381 . . . . 0.0 110.817 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -101.18 88.62 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.74 70.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 113.62 52.64 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -102.15 113.57 26.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.613 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -138.42 135.45 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.533 HG23 ' O ' ' C' ' 32' ' ' ILE . 11.9 tt -142.76 83.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.61 154.62 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.606 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -103.03 126.96 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.475 ' HB2' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 66.99 36.87 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.94 148.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 -147.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.19 50.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.543 HG11 HG21 ' C' ' 31' ' ' ILE . 99.1 t -150.26 141.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.72 123.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.543 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.7 mt -130.59 136.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.536 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.749 0.309 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.0 110.56 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 104.03 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' E' ' 32' ' ' ILE . 8.9 mp -104.4 96.63 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.858 HG12 HG22 ' E' ' 18' ' ' VAL . 5.5 m -139.18 175.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.475 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -138.27 -41.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.712 ' CD1' HG21 ' D' ' 24' ' ' VAL . 11.9 m-85 -129.67 141.71 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.06 34.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.97 53.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.18 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.712 HG21 ' CD1' ' D' ' 20' ' ' PHE . 9.9 p -140.64 143.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 -114.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.95 136.37 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.83 89.08 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.15 70.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 114.33 53.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -99.52 114.47 27.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -137.97 134.65 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.553 HG22 ' HE1' ' E' ' 19' ' ' PHE . 11.4 tt -141.32 84.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.409 ' HA3' HG21 ' D' ' 36' ' ' VAL . . . -138.85 155.21 23.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -102.28 126.05 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.6 ' HB2' HD13 ' A' ' 34' ' ' LEU . 3.3 tmm? 66.64 37.15 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.409 HG21 ' HA3' ' D' ' 33' ' ' GLY . 41.7 t -88.48 148.03 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.8 -147.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.51 166.0 50.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.532 HG11 HG21 ' D' ' 31' ' ' ILE . 99.5 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.14 123.71 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.7 mt -130.34 136.62 58.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -101.97 110.95 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.28 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD11 ' F' ' 32' ' ' ILE . 8.9 mp -105.18 96.56 6.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.872 HG12 HG22 ' F' ' 18' ' ' VAL . 5.9 m -139.59 175.45 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -138.57 -41.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.702 ' CD1' HG21 ' E' ' 24' ' ' VAL . 13.4 m-85 -130.18 141.44 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.68 33.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.78 54.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 119.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.702 HG21 ' CD1' ' E' ' 20' ' ' PHE . 9.9 p -140.24 143.82 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.38 -114.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.32 135.82 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.67 89.48 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.83 70.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 113.5 53.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.587 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -100.94 113.82 27.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.708 0.29 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -137.96 134.7 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.581 HG22 ' HE1' ' F' ' 19' ' ' PHE . 11.6 tt -141.58 83.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' E' ' 36' ' ' VAL . . . -138.94 154.87 23.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' B' ' 35' ' ' MET . 0.2 OUTLIER -102.53 126.35 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.55 ' HB2' HD13 ' B' ' 34' ' ' LEU . 3.3 tmm? 66.51 37.07 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' E' ' 33' ' ' GLY . 41.6 t -88.36 148.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.6 -147.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.05 50.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.528 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.55 HG11 HG21 ' E' ' 31' ' ' ILE . 99.9 t -150.23 141.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.98 123.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.556 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.7 mt -130.51 136.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.528 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -142.49 -56.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.11 110.76 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.82 103.32 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.607 HD21 ' CD2' ' F' ' 34' ' ' LEU . 9.0 mp -105.06 96.36 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.872 HG22 HG12 ' E' ' 18' ' ' VAL . 6.7 m -139.53 175.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -138.65 -42.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' F' ' 24' ' ' VAL . 10.3 m-85 -129.7 140.96 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.09 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.47 54.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.05 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' F' ' 20' ' ' PHE . 10.0 p -139.37 143.08 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.68 -113.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.38 134.67 48.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.2 88.71 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.79 70.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.541 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 113.57 52.53 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -102.12 113.51 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.629 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -138.43 135.46 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.531 HG23 ' O ' ' F' ' 32' ' ' ILE . 11.8 tt -142.53 83.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.47 154.62 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.607 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.97 126.82 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.428 ' HB2' HD13 ' C' ' 34' ' ' LEU . 3.3 tmm? 66.97 36.96 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.92 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.25 -147.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 166.11 50.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.535 HG11 HG21 ' F' ' 31' ' ' ILE . 99.4 t -150.18 142.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.89 123.72 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.541 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.7 mt -130.53 136.74 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.528 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.24 101.77 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.04 108.87 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.8 mp -109.19 105.83 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -140.68 176.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.21 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 24' ' ' VAL . 27.7 m-85 -123.43 -166.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.81 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -142.07 -165.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.56 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 20' ' ' PHE . 10.5 p -106.86 -34.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.95 -102.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -131.24 131.55 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' B' ' 24' ' ' VAL . 2.4 m-20 -95.19 81.86 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.34 69.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.587 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 128.62 35.69 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.23 115.32 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.0 pp -134.74 131.35 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.482 HG22 ' HE1' ' B' ' 19' ' ' PHE . 5.4 tt -142.48 85.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 36' ' ' VAL . . . -130.95 131.89 6.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -95.06 33.03 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.407 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER 178.87 35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 33' ' ' GLY . 98.8 t -97.77 143.98 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.59 62.84 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.15 142.97 5.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.699 HG21 HG21 ' A' ' 31' ' ' ILE . 6.1 p -177.39 131.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' O ' HD13 ' A' ' 41' ' ' ILE . 22.0 t -132.29 124.97 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.587 HG21 ' HA2' ' A' ' 29' ' ' GLY . 23.1 mm -127.72 129.58 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.76 101.9 12.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.72 108.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.7 mp -109.4 105.41 14.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.84 HG23 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -140.35 176.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.4 t80 -133.23 -40.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' B' ' 24' ' ' VAL . 27.9 m-85 -123.44 -167.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.0 -164.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.52 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -106.76 -34.84 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.33 -103.43 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.98 130.08 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.21 83.27 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 69.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 128.41 35.55 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -93.94 113.9 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.725 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.0 pp -134.97 130.97 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 17' ' ' LEU . 5.7 tt -142.27 85.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' B' ' 36' ' ' VAL . . . -129.85 132.35 7.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -95.13 32.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.55 35.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.427 HG23 ' HA3' ' B' ' 33' ' ' GLY . 98.6 t -97.55 144.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.66 62.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.88 143.14 5.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.693 HG21 HG21 ' B' ' 31' ' ' ILE . 6.3 p -177.43 132.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.443 ' O ' HD13 ' B' ' 41' ' ' ILE . 22.0 t -131.9 125.22 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.575 HG21 ' HA2' ' B' ' 29' ' ' GLY . 22.8 mm -127.37 129.75 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.739 0.304 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.42 101.56 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.85 108.7 16.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' C' ' 34' ' ' LEU . 1.6 mp -109.46 105.17 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.806 HG23 HG13 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -141.14 176.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.516 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 1.3 t80 -133.1 -39.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.72 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.67 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.38 -164.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.63 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.24 -34.74 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.96 -103.36 0.89 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.83 129.74 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.09 83.1 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 69.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.67 33.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -95.22 112.98 24.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.664 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.9 pp -134.76 132.03 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' B' ' 17' ' ' LEU . 5.8 tt -142.25 85.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' C' ' 36' ' ' VAL . . . -130.09 131.57 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -95.64 32.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.94 35.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.402 HG23 ' HA3' ' C' ' 33' ' ' GLY . 95.4 t -97.94 144.33 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.62 63.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.02 142.8 5.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.633 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -177.79 131.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.446 ' O ' HD13 ' C' ' 41' ' ' ILE . 21.9 t -132.24 125.11 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.446 HD13 ' O ' ' C' ' 40' ' ' VAL . 23.1 mm -127.78 129.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.096 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.761 0.315 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.41 101.88 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -116.71 109.02 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -109.28 105.99 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.779 HG13 HG23 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.67 176.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.24 -39.64 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' D' ' 24' ' ' VAL . 26.7 m-85 -123.21 -167.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.79 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -141.75 -165.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 100.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' D' ' 20' ' ' PHE . 10.6 p -106.93 -34.4 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.42 -102.5 0.83 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.14 131.49 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 81.87 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.76 69.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.6 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 128.74 35.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 115.75 28.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.719 HG21 HG21 ' D' ' 39' ' ' VAL . 2.0 pp -134.48 131.44 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.444 HG22 ' HE1' ' E' ' 19' ' ' PHE . 5.2 tt -142.16 86.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' D' ' 36' ' ' VAL . . . -130.43 132.47 6.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.46 ' CD2' HD21 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -94.97 33.02 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.38 35.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.414 HG23 ' HA3' ' D' ' 33' ' ' GLY . 99.6 t -98.24 143.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.87 62.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.19 143.32 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.719 HG21 HG21 ' D' ' 31' ' ' ILE . 5.9 p -177.02 132.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.434 ' O ' HD13 ' D' ' 41' ' ' ILE . 21.9 t -132.01 124.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.6 HG21 ' HA2' ' D' ' 29' ' ' GLY . 23.6 mm -127.88 129.47 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.837 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 80.2 m80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.713 0.292 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.35 101.67 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.86 108.28 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -109.68 105.68 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.779 HG23 HG13 ' D' ' 18' ' ' VAL . 0.0 OUTLIER -140.17 176.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.4 t80 -133.18 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.437 ' CD1' HG21 ' E' ' 24' ' ' VAL . 26.8 m-85 -123.63 -167.34 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.16 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -142.96 -164.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.38 99.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' E' ' 20' ' ' PHE . 10.1 p -106.83 -34.79 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -103.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.06 130.24 42.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.25 83.22 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.607 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 128.39 35.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -93.79 114.16 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' E' ' 39' ' ' VAL . 2.0 pp -134.93 130.94 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.728 HD11 ' HB3' ' D' ' 17' ' ' LEU . 5.7 tt -141.94 86.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' E' ' 36' ' ' VAL . . . -129.75 132.36 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -95.08 32.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.47 35.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.416 HG23 ' HA3' ' E' ' 33' ' ' GLY . 98.6 t -97.63 144.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.71 62.8 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 142.82 5.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' E' ' 31' ' ' ILE . 6.2 p -177.68 131.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.435 ' O ' HD13 ' E' ' 41' ' ' ILE . 22.0 t -132.11 125.16 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.607 HG21 ' HA2' ' E' ' 29' ' ' GLY . 22.8 mm -127.52 129.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.36 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -142.83 -51.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.52 101.03 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.43 108.16 15.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' F' ' 34' ' ' LEU . 1.7 mp -109.96 105.02 14.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.747 HG23 HG13 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.94 176.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.515 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 1.3 t80 -133.05 -39.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -123.7 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.71 -33.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.39 -164.6 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.4 -34.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 -103.34 0.88 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -130.93 129.69 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.05 83.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 69.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.418 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 128.54 34.24 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -95.16 112.98 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.672 HG21 HG21 ' F' ' 39' ' ' VAL . 2.0 pp -134.83 132.13 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' E' ' 17' ' ' LEU . 5.7 tt -141.93 85.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.02 131.67 6.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -95.51 33.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.959 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.0 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.92 144.21 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.43 62.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.97 142.89 5.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.672 HG21 HG21 ' F' ' 31' ' ' ILE . 6.3 p -177.55 131.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.439 ' O ' HD13 ' F' ' 41' ' ' ILE . 21.9 t -132.37 124.87 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.439 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.9 mm -127.7 129.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG3' ' HE3' ' D' ' 35' ' ' MET . 21.8 mp0 -113.26 114.69 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -108.58 90.91 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.614 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.3 mp -100.37 96.89 7.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 19' ' ' PHE . 4.2 t -142.02 159.4 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -127.26 147.29 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 67.51 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.37 27.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.6 -167.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.08 87.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' B' ' 24' ' ' VAL . 1.4 p -102.55 152.9 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.63 -117.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -104.41 147.77 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.15 81.45 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.83 71.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.686 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 119.44 33.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.01 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.662 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -128.13 133.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.4 tt -144.81 86.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.18 132.51 3.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' HG3' ' D' ' 35' ' ' MET . 0.1 OUTLIER -78.65 148.04 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.459 ' HE3' ' HG3' ' E' ' 15' ' ' GLN . 64.8 mmm 63.07 35.57 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.544 HG13 ' O ' ' B' ' 36' ' ' VAL . 97.4 t -103.35 130.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.37 118.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.8 111.44 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' B' ' 39' ' ' VAL . 6.1 p -177.22 133.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.39 117.35 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.686 HG21 ' CA ' ' A' ' 29' ' ' GLY . 25.2 mm -114.99 124.81 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.497 ' HG3' ' HE3' ' E' ' 35' ' ' MET . 22.0 mp0 -114.17 114.27 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -109.4 89.0 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.722 HD22 HD11 ' C' ' 17' ' ' LEU . 9.2 mp -102.23 96.84 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' N ' ' B' ' 19' ' ' PHE . 4.1 t -141.11 159.55 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -127.25 146.54 50.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 67.14 142.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.83 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.84 -167.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.53 87.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.497 HG23 ' CG1' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -102.41 152.03 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.7 -117.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -105.14 146.09 29.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -93.22 82.35 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 71.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.666 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 118.74 33.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.89 100.36 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.8 pp -128.63 133.65 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 17' ' ' LEU . 6.5 tt -144.52 86.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.04 132.29 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -78.66 148.24 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.531 ' HE3' ' HG3' ' F' ' 15' ' ' GLN . 65.4 mmm 62.92 35.19 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 36' ' ' VAL . 88.6 t -103.7 130.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.44 119.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.438 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 111.18 3.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.902 HG13 HG23 ' A' ' 39' ' ' VAL . 6.1 p -177.49 132.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.21 117.53 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.666 HG21 ' HA2' ' B' ' 29' ' ' GLY . 24.6 mm -114.85 124.52 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 14' ' ' HIS . . . . . 0.446 ' HB3' ' NE2' ' C' ' 15' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' HE3' ' F' ' 35' ' ' MET . 21.7 mp0 -112.87 114.85 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.9 87.47 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.722 HD11 HD22 ' B' ' 17' ' ' LEU . 9.2 mp -103.93 98.13 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.411 HG12 ' N ' ' C' ' 19' ' ' PHE . 4.2 t -140.65 159.32 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.16 145.73 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 66.52 141.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.96 26.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -167.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.39 87.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' B' ' 24' ' ' VAL . 1.1 p -101.92 152.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -117.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 p -105.96 145.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.12 81.3 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.18 71.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 118.05 31.82 1.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.75 100.52 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.632 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -129.57 134.2 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' C' ' 32' ' ' ILE . 6.7 tt -144.87 85.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.12 131.83 3.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' F' ' 35' ' ' MET . 0.1 OUTLIER -78.88 147.84 32.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 mmm 63.31 35.31 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 36' ' ' VAL . 87.2 t -103.86 130.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 118.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 111.16 3.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.792 HG13 HG23 ' B' ' 39' ' ' VAL . 6.2 p -177.55 133.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.19 117.31 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' C' ' 29' ' ' GLY . 24.9 mm -115.12 124.59 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.8 p80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -113.02 114.61 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -108.41 91.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.3 mp -99.87 96.45 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' D' ' 19' ' ' PHE . 4.1 t -142.12 159.48 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.413 ' N ' HG12 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 68.06 143.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.29 27.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.02 -168.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.35 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' E' ' 24' ' ' VAL . 1.4 p -102.78 152.45 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -117.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.2 p -104.36 147.77 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -92.52 81.29 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.28 72.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.695 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 119.57 33.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.29 101.18 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -127.63 133.73 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' D' ' 32' ' ' ILE . 6.3 tt -144.44 86.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.34 132.18 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 148.09 33.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.484 ' HE3' ' HG3' ' A' ' 15' ' ' GLN . 65.9 mmm 63.27 35.36 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.594 HG13 ' O ' ' E' ' 36' ' ' VAL . 95.3 t -103.68 130.21 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.3 118.5 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 111.55 3.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' E' ' 39' ' ' VAL . 6.1 p -177.07 133.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.32 117.41 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.695 HG21 ' HA2' ' D' ' 29' ' ' GLY . 25.4 mm -115.04 124.64 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 14' ' ' HIS . . . . . 0.407 ' HB3' ' NE2' ' E' ' 15' ' ' GLN . 1.6 t-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.459 ' HG3' ' HE3' ' A' ' 35' ' ' MET . 22.1 mp0 -113.15 114.25 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -109.16 89.55 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.715 HD22 HD11 ' F' ' 17' ' ' LEU . 9.2 mp -101.68 96.81 7.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' E' ' 19' ' ' PHE . 4.1 t -141.24 159.66 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -127.09 146.91 50.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 67.27 142.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.84 26.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.05 -167.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.91 87.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.464 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.0 OUTLIER -102.66 152.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.47 -117.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -105.11 146.63 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.04 82.17 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.12 71.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.687 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 118.63 33.17 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.97 100.5 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.8 pp -128.37 133.39 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' D' ' 17' ' ' LEU . 6.8 tt -144.07 86.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.09 132.42 3.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -78.59 147.92 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.497 ' HE3' ' HG3' ' B' ' 15' ' ' GLN . 67.0 mmm 63.1 35.35 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.594 ' O ' HG13 ' D' ' 36' ' ' VAL . 91.8 t -103.44 130.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.35 118.91 1.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 111.16 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' D' ' 39' ' ' VAL . 6.1 p -177.55 133.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.33 117.44 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' E' ' 29' ' ' GLY . 24.8 mm -114.91 124.73 71.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.95 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.531 ' HG3' ' HE3' ' B' ' 35' ' ' MET . 21.8 mp0 -112.57 114.86 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.72 87.86 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.715 HD11 HD22 ' E' ' 17' ' ' LEU . 9.1 mp -103.54 97.74 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.42 HG12 ' N ' ' F' ' 19' ' ' PHE . 4.1 t -140.87 159.49 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.543 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -127.14 146.06 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 66.7 141.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.05 26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.6 -167.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -66.69 87.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.453 HG23 ' CG1' ' E' ' 24' ' ' VAL . 1.2 p -102.1 152.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.74 -117.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -105.84 145.95 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -92.87 81.29 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.48 71.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 117.94 32.09 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.76 100.43 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.651 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -129.5 134.32 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' E' ' 17' ' ' LEU . 6.6 tt -144.71 86.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.24 131.97 3.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -78.87 147.88 32.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.556 ' HE3' ' HG3' ' C' ' 15' ' ' GLN . 64.8 mmm 63.39 35.19 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.477 ' O ' HG13 ' E' ' 36' ' ' VAL . 87.4 t -103.53 130.39 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.31 119.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.0 111.11 3.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' E' ' 39' ' ' VAL . 6.2 p -177.52 133.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.27 117.26 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.622 HG21 ' HA2' ' F' ' 29' ' ' GLY . 25.4 mm -115.1 124.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.809 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -105.67 101.74 11.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.83 119.19 35.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -118.46 97.93 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.865 HG12 HG22 ' B' ' 18' ' ' VAL . 3.2 m -139.0 -171.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -148.33 -41.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 24' ' ' VAL . 28.8 m-85 -120.04 141.06 50.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.97 60.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.5 81.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 20' ' ' PHE . 7.2 p -96.96 147.0 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -93.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.69 130.54 56.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 86.39 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.8 62.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.685 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 126.26 47.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.629 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -101.17 107.8 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.605 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -133.91 132.26 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.658 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -153.75 38.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -99.43 109.38 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' B' ' 34' ' ' LEU . 2.7 pt? -52.73 135.1 35.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.419 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 65.65 84.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 33' ' ' GLY . 48.7 t -146.81 140.78 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.34 -112.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.96 134.33 8.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.64 149.9 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.15 99.21 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HA2' ' A' ' 29' ' ' GLY . 22.0 mm -98.95 125.97 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB3' ' C ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.748 0.309 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -105.58 101.3 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.36 118.73 34.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.0 OUTLIER -119.36 97.34 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.865 HG22 HG12 ' A' ' 18' ' ' VAL . 3.2 m -139.58 -171.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.658 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -148.41 -42.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.803 ' CE1' HG21 ' B' ' 24' ' ' VAL . 30.6 m-85 -120.14 141.04 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.92 -75.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.42 82.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.803 HG21 ' CE1' ' B' ' 20' ' ' PHE . 7.6 p -96.72 147.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -92.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.26 129.88 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.04 86.8 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.49 63.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 126.74 47.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.657 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -103.15 109.17 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.8 pp -133.71 132.76 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.698 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.4 tt -154.79 38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.42 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -99.83 110.71 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.591 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 pt? -53.82 135.59 41.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.33 84.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 33' ' ' GLY . 51.7 t -146.86 140.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.99 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 133.99 8.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.68 149.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.55 99.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' B' ' 29' ' ' GLY . 21.9 mm -98.85 125.84 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.726 0.298 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.455 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -105.59 102.25 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.09 118.46 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.458 HD11 HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -120.28 96.0 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.859 HG22 HG12 ' B' ' 18' ' ' VAL . 3.7 m -140.12 -171.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.698 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -147.96 -42.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' C' ' 24' ' ' VAL . 26.4 m-85 -120.5 141.11 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.66 59.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.31 82.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.761 HG21 ' CE1' ' C' ' 20' ' ' PHE . 7.5 p -96.39 147.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.7 -92.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.38 129.78 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.54 86.25 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 63.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 127.47 45.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.666 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -103.81 109.6 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -132.54 133.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.649 HG13 HG23 ' B' ' 32' ' ' ILE . 14.0 tt -155.8 38.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.416 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -99.78 111.57 4.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.586 ' HB3' HD21 ' B' ' 34' ' ' LEU . 2.6 pt? -54.12 134.81 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.53 85.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 33' ' ' GLY . 53.5 t -146.51 139.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -111.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.52 133.97 8.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.63 149.88 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.6 99.1 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' C' ' 29' ' ' GLY . 22.5 mm -99.16 125.77 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.549 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.729 0.299 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -105.6 101.49 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.78 119.79 37.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -118.21 98.47 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.831 HG12 HG22 ' E' ' 18' ' ' VAL . 3.2 m -138.91 -171.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.614 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.7 OUTLIER -148.27 -41.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' D' ' 24' ' ' VAL . 29.3 m-85 -119.75 141.07 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.13 60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -74.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.47 81.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' D' ' 20' ' ' PHE . 7.1 p -97.06 146.78 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.06 -92.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.72 130.32 56.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.82 86.44 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.03 62.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.7 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 126.44 47.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -101.0 107.65 19.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.625 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -133.75 132.54 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.654 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.1 tt -154.19 38.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.433 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -99.38 109.67 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' E' ' 34' ' ' LEU . 2.7 pt? -52.78 135.91 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 33' ' ' GLY . 49.6 t -147.2 140.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.79 -111.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.72 134.31 8.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.42 149.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.29 99.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.7 HG21 ' HA2' ' D' ' 29' ' ' GLY . 22.2 mm -99.04 126.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' C ' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.451 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -105.54 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.59 118.8 34.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.0 OUTLIER -119.26 97.86 5.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.843 HG12 HG22 ' F' ' 18' ' ' VAL . 3.2 m -139.38 -171.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.654 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -148.46 -42.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' E' ' 24' ' ' VAL . 30.3 m-85 -120.26 140.92 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.36 81.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' E' ' 20' ' ' PHE . 7.7 p -96.79 147.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.6 -93.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.25 129.88 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.84 86.8 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.4 63.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.646 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 126.66 47.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.653 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -103.03 109.12 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.8 pp -133.66 132.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.731 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.5 tt -154.67 38.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.431 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -99.5 111.1 4.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' F' ' 34' ' ' LEU . 2.7 pt? -53.8 135.43 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.417 ' CG ' HD11 ' B' ' 34' ' ' LEU . 0.5 OUTLIER 64.96 84.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' E' ' 33' ' ' GLY . 52.0 t -146.82 140.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.93 -111.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 134.01 8.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.6 149.78 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.45 99.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.646 HG21 ' HA2' ' E' ' 29' ' ' GLY . 21.7 mm -98.91 125.89 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.534 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -56.17 -36.15 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.457 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -105.64 101.98 11.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.23 118.51 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.47 HD11 HD22 ' E' ' 17' ' ' LEU . 1.0 OUTLIER -120.14 96.55 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.843 HG22 HG12 ' E' ' 18' ' ' VAL . 3.7 m -139.82 -171.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.731 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -148.02 -42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' F' ' 24' ' ' VAL . 26.9 m-85 -120.67 140.85 51.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.7 59.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.23 82.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' F' ' 20' ' ' PHE . 7.4 p -96.52 147.1 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.62 -92.83 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.48 129.87 56.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.44 86.11 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.87 63.46 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 127.54 45.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -103.87 109.63 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -132.62 133.27 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.663 HG13 HG23 ' E' ' 32' ' ' ILE . 14.2 tt -155.8 38.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -99.79 111.94 4.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.612 ' HB3' HD21 ' E' ' 34' ' ' LEU . 2.6 pt? -54.22 134.8 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.2 85.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' F' ' 33' ' ' GLY . 53.3 t -146.4 139.84 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.39 -111.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 133.88 8.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.58 149.85 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.52 99.14 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' F' ' 29' ' ' GLY . 22.7 mm -99.23 125.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.534 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.311 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -123.55 112.12 17.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 121.11 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -125.18 106.72 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.92 144.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.78 159.31 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 60.54 175.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.95 -36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.51 35.75 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.21 150.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.489 HG22 HG12 ' B' ' 24' ' ' VAL . 3.0 m -141.82 179.58 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.63 -71.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.56 131.75 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.77 83.65 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.39 66.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.492 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.23 35.63 0.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.22 101.17 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -130.43 135.42 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' B' ' 32' ' ' ILE . 19.7 tt -152.73 42.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.83 -120.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HG3' ' D' ' 35' ' ' MET . 2.4 tp -175.26 111.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.537 ' HE3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 64.17 35.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' B' ' 36' ' ' VAL . 21.2 t -61.63 150.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.84 12.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 HG13 ' B' ' 39' ' ' VAL . 5.0 p -177.93 123.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.27 129.86 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.492 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.5 mt -130.31 133.94 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -123.72 111.46 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 120.45 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.571 HD22 HD11 ' C' ' 17' ' ' LEU . 0.7 OUTLIER -125.54 106.27 9.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 18' ' ' VAL . 3.6 p -160.42 143.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.68 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -95.09 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.13 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.6 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.18 35.39 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.61 150.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 24' ' ' VAL . 3.0 m -141.92 -179.95 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 -72.32 1.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 131.21 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.56 83.62 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.25 67.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.463 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 125.86 34.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.68 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.12 102.46 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.599 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -130.01 135.79 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 17' ' ' LEU . 19.2 tt -152.37 41.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.87 -120.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.785 HD22 ' HG3' ' E' ' 35' ' ' MET . 2.3 tp -175.42 111.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.684 ' HG3' HD22 ' D' ' 34' ' ' LEU . 0.6 OUTLIER 63.94 35.15 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.498 ' HB ' HG13 ' A' ' 36' ' ' VAL . 21.1 t -61.19 150.93 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 78.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 157.83 11.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.895 HG13 HG23 ' A' ' 39' ' ' VAL . 4.9 p -177.91 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.11 130.06 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.463 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.5 mt -130.0 133.89 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.429 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -123.95 111.6 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 119.28 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.571 HD11 HD22 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -127.98 105.82 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.457 ' O ' HG23 ' B' ' 18' ' ' VAL . 4.3 p -161.41 143.84 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -95.06 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.98 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.96 35.69 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.83 150.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 24' ' ' VAL . 2.9 m -141.84 179.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 -72.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.84 131.18 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.71 82.83 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.0 68.12 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.477 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 125.48 33.14 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.7 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.42 103.51 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.297 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.575 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -130.22 136.28 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.691 HG13 HG23 ' B' ' 32' ' ' ILE . 19.0 tt -152.95 40.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.07 -121.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' F' ' 35' ' ' MET . 2.4 tp -175.84 110.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.702 ' HG3' HD22 ' E' ' 34' ' ' LEU . 0.4 OUTLIER 63.91 34.83 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' B' ' 36' ' ' VAL . 20.7 t -61.07 151.58 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.95 79.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.25 158.02 12.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 39' ' ' VAL . 5.0 p -177.99 123.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.63 130.42 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.477 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.5 mt -130.34 133.77 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.843 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.716 0.293 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -123.49 112.47 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 121.26 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.705 ' HB3' HD11 ' E' ' 32' ' ' ILE . 0.7 OUTLIER -124.78 106.54 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.61 144.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -95.04 159.61 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 61.17 175.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.51 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -125.31 35.22 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 65.15 150.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.461 HG22 HG12 ' E' ' 24' ' ' VAL . 3.0 m -141.9 179.12 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.69 -71.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.2 131.6 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.31 83.83 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.59 67.19 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.497 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 126.28 35.76 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.56 100.8 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.325 . . . . 0.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -130.35 135.53 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' E' ' 32' ' ' ILE . 19.8 tt -153.2 43.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.59 -119.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' B' ' 35' ' ' MET . 2.4 tp -174.73 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.601 ' HG3' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.77 35.37 11.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' E' ' 36' ' ' VAL . 21.2 t -61.21 150.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 158.06 12.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.948 HG23 HG13 ' E' ' 39' ' ' VAL . 4.8 p -177.77 123.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.34 129.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.497 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.5 mt -130.47 134.13 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.724 0.297 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.417 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -123.6 111.56 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.599 HD11 HD22 ' D' ' 17' ' ' LEU . 0.7 OUTLIER -125.59 106.42 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' F' ' 18' ' ' VAL . 3.8 p -160.35 143.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.679 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -95.03 158.53 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.14 174.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.53 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.95 35.35 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.42 150.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.461 HG12 HG22 ' D' ' 24' ' ' VAL . 3.0 m -141.87 -179.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 -72.19 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.68 131.32 29.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.52 83.57 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.28 67.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.479 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 125.81 34.49 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.11 102.3 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -130.04 135.71 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' D' ' 17' ' ' LEU . 19.3 tt -152.37 41.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.64 -120.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.702 HD22 ' HG3' ' C' ' 35' ' ' MET . 2.5 tp -175.15 111.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.785 ' HG3' HD22 ' B' ' 34' ' ' LEU . 0.4 OUTLIER 63.81 35.29 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' D' ' 36' ' ' VAL . 21.0 t -61.25 150.84 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.11 79.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.84 157.97 11.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.948 HG13 HG23 ' D' ' 39' ' ' VAL . 4.9 p -177.96 123.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.07 129.97 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.479 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.5 mt -130.19 133.88 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.804 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.36 -75.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -124.02 111.71 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 119.03 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.597 HD11 HD22 ' E' ' 17' ' ' LEU . 0.7 OUTLIER -127.91 105.59 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.455 ' O ' HG23 ' E' ' 18' ' ' VAL . 4.3 p -161.36 143.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.697 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.87 158.51 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 60.03 173.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.49 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.84 35.68 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.78 150.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 2.9 m -141.85 179.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.26 -72.25 1.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.81 131.24 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.8 82.91 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.09 68.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.478 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 125.61 33.08 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.697 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.42 103.4 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.618 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -130.25 136.53 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.698 HG13 HG23 ' E' ' 32' ' ' ILE . 18.9 tt -153.09 40.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.98 -121.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.61 110.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.64 ' HG3' HD22 ' C' ' 34' ' ' LEU . 0.5 OUTLIER 63.81 34.79 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.501 ' HB ' HG13 ' E' ' 36' ' ' VAL . 20.6 t -60.95 151.4 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.86 79.17 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.21 158.13 13.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.874 HG13 HG23 ' E' ' 39' ' ' VAL . 5.1 p -177.92 123.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.164 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.69 130.32 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.478 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.5 mt -130.27 133.93 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.784 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.833 0.349 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 102.18 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -103.8 99.69 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -102.67 105.74 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.17 98.97 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.58 90.37 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -83.93 78.62 9.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t 58.09 64.19 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.99 61.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -77.15 77.18 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.67 -39.31 37.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.2 92.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -118.98 159.84 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.06 -74.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.705 ' CD ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -126.18 115.61 20.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE2' HG11 ' A' ' 18' ' ' VAL . 12.9 tttt -113.55 96.05 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.3 mp -102.31 102.15 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 16' ' ' LYS . 2.7 p -160.98 143.52 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.22 153.21 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 65.04 -171.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.77 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.33 -69.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -178.85 123.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 24' ' ' VAL . 6.5 m -108.85 -178.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.87 1.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -140.92 131.68 25.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.25 83.03 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 65.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 125.77 35.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.71 107.56 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.55 138.1 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.6 tt -141.57 87.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.74 132.84 4.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -78.86 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.64 ' HE3' HD11 ' E' ' 34' ' ' LEU . 3.1 tmm? 63.43 41.53 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG13 ' O ' ' B' ' 36' ' ' VAL . 87.7 t -100.71 88.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.53 94.68 2.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.69 115.01 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.596 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -177.04 123.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.71 126.56 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.0 mp -128.87 130.15 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.821 0.344 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.42 102.21 12.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.74 99.64 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -102.67 105.69 16.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 99.02 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.58 90.36 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.45 49.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.08 -170.92 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.91 35.84 2.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -149.61 164.95 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -137.14 36.2 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.9 m -111.35 141.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -161.43 43.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 -75.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.658 ' CD ' HD13 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -126.3 115.32 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.492 ' HE2' HG11 ' B' ' 18' ' ' VAL . 12.9 tttt -113.54 95.44 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.658 HD13 ' CD ' ' B' ' 15' ' ' GLN . 6.5 mp -103.22 101.81 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -160.1 142.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -94.14 152.22 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 64.58 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.66 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -113.33 -68.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.23 123.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 24' ' ' VAL . 6.5 m -109.51 -178.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.09 1.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.6 131.28 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.91 83.06 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 124.96 34.48 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.07 107.33 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -135.64 137.71 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 17' ' ' LEU . 9.4 tt -142.44 86.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.4 132.93 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.5 HD13 ' CE ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -78.84 137.78 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.653 ' HE3' HD11 ' F' ' 34' ' ' LEU . 3.1 tmm? 63.72 41.36 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 36' ' ' VAL . 85.2 t -101.18 88.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.3 95.35 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.83 114.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.596 HG13 HG23 ' A' ' 39' ' ' VAL . 6.6 p -177.47 123.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 0.0 111.14 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.53 126.38 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.0 mp -128.89 130.17 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 102.18 12.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.72 99.57 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -102.62 105.71 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 98.97 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.63 90.35 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.84 73.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.05 -50.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.57 -147.95 19.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -154.51 85.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.95 164.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 t 60.54 100.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.39 171.54 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 72.37 -69.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.548 ' CG ' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -126.28 114.92 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.68 93.94 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' C' ' 15' ' ' GLN . 6.6 mp -104.42 101.91 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.9 p -160.7 143.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.678 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -94.4 152.66 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 64.25 -173.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.78 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.88 -68.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.18 123.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.438 HG12 HG22 ' B' ' 24' ' ' VAL . 6.0 m -109.57 -178.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.07 1.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -141.85 131.27 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.809 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.08 82.6 3.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.55 66.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.503 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 124.59 33.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.38 107.81 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -136.48 137.89 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' B' ' 17' ' ' LEU . 9.4 tt -144.06 85.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.18 132.53 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.515 HD23 HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -79.14 138.09 37.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.455 ' HB2' HD22 ' F' ' 34' ' ' LEU . 3.1 tmm? 64.61 40.97 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 36' ' ' VAL . 85.6 t -101.65 88.48 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.62 95.03 2.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.76 114.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 31' ' ' ILE . 6.6 p -177.52 123.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.56 126.66 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.503 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.0 mp -128.73 130.17 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.38 102.23 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -103.82 99.73 9.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -102.65 105.7 16.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.04 99.04 8.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.61 90.32 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.49 -36.49 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.6 t -163.2 36.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.784 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.28 65.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.45 158.59 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -122.5 -35.31 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.25 87.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -109.12 -38.71 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.89 -82.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.686 ' CD ' HD13 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -127.32 114.99 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.494 ' HE2' HG11 ' D' ' 18' ' ' VAL . 12.9 tttt -113.54 95.82 5.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.781 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.5 mp -102.36 102.08 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' D' ' 16' ' ' LYS . 2.7 p -161.22 143.19 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.5 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -94.68 153.58 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 65.29 -171.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.64 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -112.43 -69.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.54 123.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.46 HG22 HG12 ' E' ' 24' ' ' VAL . 6.4 m -109.19 -178.42 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.57 -68.38 1.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -140.79 131.59 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.74 83.16 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.29 65.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.519 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 125.93 35.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.69 107.38 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.64 138.23 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.625 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.5 tt -141.38 87.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.414 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -149.14 132.56 4.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -78.58 137.37 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.5 ' CE ' HD13 ' B' ' 34' ' ' LEU . 3.1 tmm? 63.75 41.8 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.651 HG13 ' O ' ' E' ' 36' ' ' VAL . 86.7 t -100.94 88.51 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 94.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.48 115.07 1.83 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.613 HG23 HG13 ' E' ' 39' ' ' VAL . 6.5 p -176.84 123.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.71 126.46 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.519 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.0 mp -128.9 130.1 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.4 102.23 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.84 99.63 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -102.61 105.68 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 99.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.64 90.36 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -68.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.38 165.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.99 -105.73 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -52.32 131.71 33.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.587 ' OE2' HG12 ' E' ' 12' ' ' VAL . 0.0 OUTLIER -177.74 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.587 HG12 ' OE2' ' E' ' 11' ' ' GLU . 12.6 p -175.81 150.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.07 88.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 36.1 t60 71.35 -70.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.605 ' CD ' HD13 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -125.69 114.82 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.488 ' HE2' HG11 ' E' ' 18' ' ' VAL . 13.1 tttt -113.94 95.64 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.6 mp -103.53 102.07 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -159.93 143.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.631 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -93.96 152.21 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.52 -172.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.58 -45.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.2 -68.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.17 123.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.46 HG12 HG22 ' D' ' 24' ' ' VAL . 6.1 m -109.54 -178.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.65 -69.04 1.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.57 131.36 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 83.09 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 66.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.565 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 124.61 34.66 0.69 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -78.92 107.35 11.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -135.51 137.72 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' D' ' 17' ' ' LEU . 9.3 tt -142.05 86.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 132.38 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.64 HD11 ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -78.85 137.83 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.498 ' CE ' HD13 ' C' ' 34' ' ' LEU . 3.1 tmm? 63.89 41.16 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.651 ' O ' HG13 ' D' ' 36' ' ' VAL . 84.2 t -101.19 88.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.32 95.16 2.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.9 114.35 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.613 HG13 HG23 ' D' ' 39' ' ' VAL . 6.7 p -177.5 123.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.66 126.54 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.565 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.0 mp -128.93 130.11 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 102.15 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.73 99.57 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -102.62 105.62 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.01 98.94 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.6 90.34 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.07 -36.14 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 28.7 p -147.14 176.4 9.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.9 45.14 3.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -131.99 76.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -178.73 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.53 144.52 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -177.58 166.65 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.26 -71.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.538 ' CG ' HD13 ' F' ' 17' ' ' LEU . 0.8 OUTLIER -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -113.82 92.97 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.563 HD11 HD22 ' E' ' 17' ' ' LEU . 6.4 mp -104.59 101.81 11.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.517 ' O ' HG23 ' E' ' 18' ' ' VAL . 3.0 p -160.48 143.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.671 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.21 152.56 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 64.28 -173.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.84 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -113.79 -68.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -179.21 123.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 6.2 m -109.6 -178.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.44 -69.06 1.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.86 131.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.04 82.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 124.68 33.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.671 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.36 107.8 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.567 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -136.58 138.02 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' E' ' 17' ' ' LEU . 9.3 tt -143.95 86.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 132.7 4.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.653 HD11 ' HE3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -79.19 137.86 37.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.06 41.28 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.538 ' O ' HG13 ' E' ' 36' ' ' VAL . 84.8 t -101.57 88.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 95.37 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.78 114.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.494 HG21 HG21 ' F' ' 31' ' ' ILE . 6.6 p -177.49 123.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.53 126.55 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.521 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.0 mp -128.87 130.21 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.848 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 100.59 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.61 102.86 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.22 101.77 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.34 102.41 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.87 83.21 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -96.15 36.29 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m 52.95 -170.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.91 -132.48 2.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -153.61 -46.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.57 157.81 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.2 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.79 -170.49 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 m80 63.2 163.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.51 103.32 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.3 113.1 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.2 mp -116.21 96.75 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.893 HG12 HG22 ' B' ' 18' ' ' VAL . 9.4 m -132.84 -171.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.44 -55.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.9 m-85 -112.09 137.49 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.25 33.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.84 -169.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.75 95.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 20' ' ' PHE . 13.1 p -107.44 148.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.75 -111.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 140.8 39.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.87 97.84 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 111.0 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.21 13.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.39 110.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.1 pp -133.47 131.8 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 18' ' ' VAL . 2.6 tt -150.22 88.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.17 127.18 2.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' D' ' 34' ' ' LEU . 3.0 mp -62.54 134.17 55.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.59 ' HB2' HD21 ' D' ' 34' ' ' LEU . 4.0 ttt 61.38 90.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -149.37 143.79 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.49 -127.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 174.91 30.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 39' ' ' VAL . 18.3 m -148.73 142.34 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.716 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.0 t -138.04 111.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 40' ' ' VAL . 21.9 mm -130.05 131.17 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.28 100.58 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 102.9 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.3 101.73 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.78 83.27 4.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.39 54.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 73.3 p -74.45 75.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.79 145.96 4.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 57.52 -177.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.345 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -135.78 145.26 46.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.47 141.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -126.27 179.44 5.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.95 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.54 103.29 13.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.19 112.58 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.793 ' HB3' HD11 ' C' ' 32' ' ' ILE . 6.2 mp -116.75 96.54 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.911 HG12 HG22 ' C' ' 18' ' ' VAL . 8.7 m -132.93 -171.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.44 -55.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.516 ' CD1' HG21 ' B' ' 24' ' ' VAL . 34.2 m-85 -111.92 137.37 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.22 32.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.74 -169.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.8 p -107.43 148.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.96 -111.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 140.03 40.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.0 98.83 10.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 111.25 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 77.23 44.18 14.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.56 109.21 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.695 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.1 pp -133.34 131.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 17' ' ' LEU . 2.7 tt -149.64 88.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.82 127.24 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' D' ' 35' ' ' MET . 3.1 mp -62.69 134.18 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.603 ' HB2' HD21 ' E' ' 34' ' ' LEU . 4.0 ttt 61.13 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.2 143.84 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.84 -128.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 174.52 30.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.424 HG12 HG22 ' C' ' 39' ' ' VAL . 18.3 m -148.59 141.86 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.701 ' O ' HD13 ' B' ' 41' ' ' ILE . 26.0 t -137.71 111.99 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.701 HD13 ' O ' ' B' ' 40' ' ' VAL . 21.8 mm -129.57 131.19 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 100.62 10.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.57 102.89 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.25 101.7 10.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.29 102.38 11.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.82 83.26 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -108.2 38.08 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -70.23 -39.97 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.22 86.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.11 -63.01 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.907 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.53 82.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 12' ' ' VAL . 10.7 m -54.68 114.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -119.21 -72.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 71.41 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -102.63 103.25 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.27 112.49 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.472 HD11 HD22 ' B' ' 17' ' ' LEU . 6.3 mp -116.83 96.42 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.911 HG22 HG12 ' B' ' 18' ' ' VAL . 10.2 m -133.15 -171.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.5 OUTLIER -151.63 -54.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' C' ' 24' ' ' VAL . 30.1 m-85 -111.94 137.2 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.64 -169.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.565 HG23 ' CG1' ' B' ' 24' ' ' VAL . 13.1 p -107.36 148.51 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.97 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 140.19 40.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.04 98.83 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.24 111.0 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 76.97 42.97 18.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.47 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -97.75 108.61 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.668 HD11 ' HB ' ' B' ' 31' ' ' ILE . 2.0 pp -133.27 132.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.793 HD11 ' HB3' ' B' ' 17' ' ' LEU . 2.7 tt -149.94 88.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.66 127.06 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -62.76 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.503 ' HB2' HD21 ' F' ' 34' ' ' LEU . 4.0 ttt 61.19 90.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -149.19 144.1 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 -128.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 174.24 29.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.424 HG22 HG12 ' B' ' 39' ' ' VAL . 18.6 m -148.85 142.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.718 ' O ' HD13 ' C' ' 41' ' ' ILE . 25.9 t -137.81 111.87 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.718 HD13 ' O ' ' C' ' 40' ' ' VAL . 22.0 mm -130.03 131.22 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.21 100.64 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.62 102.86 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.26 101.73 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.3 102.41 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.83 83.3 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -118.36 36.3 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.15 99.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.12 -63.55 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -167.2 48.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -151.24 117.23 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.409 HG23 ' NE2' ' D' ' 14' ' ' HIS . 7.7 p -172.13 134.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -143.51 -68.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.409 ' NE2' HG23 ' D' ' 12' ' ' VAL . 5.5 m-70 62.42 171.33 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.449 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 21.2 mp0 -102.56 103.5 13.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.775 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.2 mp -116.43 96.53 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.826 HG12 HG22 ' E' ' 18' ' ' VAL . 9.8 m -132.9 -171.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.52 -54.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' D' ' 24' ' ' VAL . 32.2 m-85 -112.01 137.24 50.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 33.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -180.0 -169.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 94.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' D' ' 20' ' ' PHE . 13.3 p -107.54 148.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.72 -111.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.97 140.75 39.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.55 97.98 10.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 111.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.68 44.51 12.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.55 109.97 21.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.719 ' HB ' HD11 ' E' ' 31' ' ' ILE . 2.1 pp -133.45 131.67 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.694 HD13 ' O ' ' D' ' 18' ' ' VAL . 2.6 tt -150.07 88.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.93 127.21 2.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 35' ' ' MET . 3.0 mp -62.37 133.83 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.569 ' HB2' HD21 ' B' ' 34' ' ' LEU . 4.0 ttt 61.35 90.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.36 143.76 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.26 -128.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.82 175.0 30.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.421 HG12 HG22 ' E' ' 39' ' ' VAL . 18.2 m -148.57 142.28 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.727 ' O ' HD13 ' D' ' 41' ' ' ILE . 26.1 t -137.68 111.72 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.727 HD13 ' O ' ' D' ' 40' ' ' VAL . 21.9 mm -130.1 131.07 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.21 100.63 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.62 102.89 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.27 101.78 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.39 102.37 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.83 83.26 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -107.0 36.35 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.03 -71.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.06 -129.99 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.64 ' O ' HG23 ' E' ' 12' ' ' VAL . 27.4 m-85 -139.91 36.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.7 40.98 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' E' ' 10' ' ' TYR . 56.7 t -133.05 130.82 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -62.13 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -139.92 137.34 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.49 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -111.13 112.74 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.797 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.3 mp -116.48 96.77 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.844 HG12 HG22 ' F' ' 18' ' ' VAL . 9.0 m -132.64 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.3 -55.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' E' ' 24' ' ' VAL . 34.4 m-85 -111.97 137.4 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 32.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -169.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' F' ' 24' ' ' VAL . 12.8 p -107.46 148.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.99 -111.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 139.93 40.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.91 98.82 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.26 111.2 15.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' D' ' 41' ' ' ILE . . . 77.26 44.16 14.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.47 109.26 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' D' ' 31' ' ' ILE . 2.1 pp -133.32 131.82 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' D' ' 17' ' ' LEU . 2.7 tt -149.59 88.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.62 127.14 2.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' B' ' 35' ' ' MET . 3.0 mp -62.54 134.1 55.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.554 ' HB2' HD21 ' C' ' 34' ' ' LEU . 4.0 ttt 61.07 90.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -149.2 143.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.89 -128.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.02 174.62 30.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.421 HG22 HG12 ' D' ' 39' ' ' VAL . 18.5 m -148.5 141.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.715 ' O ' HD13 ' E' ' 41' ' ' ILE . 26.0 t -137.68 111.91 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.715 HD13 ' O ' ' E' ' 40' ' ' VAL . 21.9 mm -129.65 131.19 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.792 0.33 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.23 100.61 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.57 102.92 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.34 101.69 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.32 102.42 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.82 83.25 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.44 106.32 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.6 p -160.36 124.49 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.26 136.55 34.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.15 157.56 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 55.79 -173.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -97.52 122.33 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -126.27 37.51 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.99 -46.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.57 103.41 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.22 112.6 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.446 HD11 HD22 ' E' ' 17' ' ' LEU . 6.3 mp -116.65 96.59 5.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.844 HG22 HG12 ' E' ' 18' ' ' VAL . 10.2 m -132.94 -172.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.472 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -151.61 -54.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' F' ' 24' ' ' VAL . 29.9 m-85 -111.93 137.12 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.56 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 -169.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.89 95.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.527 HG23 ' CG1' ' E' ' 24' ' ' VAL . 13.2 p -107.32 148.46 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.92 -111.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.17 98.86 10.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.28 110.95 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.423 ' HA3' HG21 ' E' ' 41' ' ' ILE . . . 77.04 42.99 18.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.472 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -97.86 108.73 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' E' ' 31' ' ' ILE . 2.0 pp -133.33 132.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.797 HD11 ' HB3' ' E' ' 17' ' ' LEU . 2.7 tt -149.99 88.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.7 127.11 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -62.77 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.31 90.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.0 t -149.23 143.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.8 -128.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.45 174.36 29.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.79 142.01 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.719 ' O ' HD13 ' F' ' 41' ' ' ILE . 26.0 t -137.79 111.86 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.719 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.2 mm -130.07 131.19 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.12 100.57 10.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.76 99.88 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.44 102.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 103.73 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -134.35 74.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.37 36.58 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -102.47 124.73 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.4 37.44 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.14 -47.63 4.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -110.04 -170.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t 62.15 99.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -91.4 -177.36 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -83.62 -72.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.0 114.3 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 97.04 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.4 mp -102.81 105.82 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 18' ' ' VAL . 2.6 p -160.32 135.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -91.83 150.31 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 24' ' ' VAL . 8.9 m-85 66.75 120.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 -33.93 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -72.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.72 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.67 HG22 HG12 ' B' ' 24' ' ' VAL . 4.0 m -127.67 -178.69 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -75.46 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.02 127.72 49.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.08 91.05 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -108.13 88.21 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' N ' HG21 ' A' ' 41' ' ' ILE . . . 102.08 33.3 4.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -79.1 106.61 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 111.084 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.68 137.16 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.0 tt -144.83 86.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.48 -119.53 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.63 113.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 63.79 34.08 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.65 132.77 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.85 -103.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.12 164.15 22.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 HG13 ' B' ' 39' ' ' VAL . 5.5 p -177.47 121.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.01 130.41 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 29' ' ' GLY . 2.4 mp -134.03 127.46 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.13 100.5 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.78 99.88 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.37 102.34 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 103.73 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -134.29 74.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.19 -53.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m -140.29 85.63 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.16 -51.91 53.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -97.58 142.4 29.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.22 152.27 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.69 149.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 58.7 -176.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -155.21 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.1 114.49 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.39 96.57 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.574 HD22 HD11 ' C' ' 17' ' ' LEU . 9.3 mp -103.22 105.76 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -158.8 135.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.601 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -90.57 149.78 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 66.37 119.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -34.13 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.62 -71.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.68 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.67 HG12 HG22 ' A' ' 24' ' ' VAL . 3.9 m -127.91 -178.89 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -75.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.84 127.16 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.11 91.12 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.43 88.59 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.549 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 101.58 32.59 5.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.601 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.53 107.06 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -135.35 137.73 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 17' ' ' LEU . 8.6 tt -144.89 85.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.23 -120.22 2.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.81 113.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.435 ' CB ' HD21 ' E' ' 34' ' ' LEU . 3.9 ttt 64.09 33.63 11.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.37 133.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.69 -103.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.73 163.61 21.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.544 HG13 HG23 ' A' ' 39' ' ' VAL . 5.6 p -177.89 121.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.77 130.66 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.549 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.4 mp -133.69 127.41 52.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.762 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.12 100.49 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 99.87 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -104.36 102.35 12.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.11 103.7 13.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -134.31 74.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t 52.68 -170.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.73 94.14 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.05 148.6 50.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 60.99 39.18 16.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.94 142.26 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -86.47 170.98 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -126.03 -37.91 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.02 114.69 26.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 95.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.574 HD11 HD22 ' B' ' 17' ' ' LEU . 9.4 mp -103.81 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.563 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.8 p -158.6 135.68 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -90.56 150.27 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.21 117.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.3 -34.82 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -70.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.4 137.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.651 HG12 HG22 ' B' ' 24' ' ' VAL . 3.5 m -127.87 -179.05 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.72 -75.36 1.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.11 127.09 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.15 90.4 7.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.85 89.03 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.517 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 101.09 31.67 5.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.87 107.8 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.5 pp -136.14 138.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.491 HG23 ' O ' ' C' ' 32' ' ' ILE . 7.9 tt -145.73 85.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.95 -120.51 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 112.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.504 ' HE1' ' HB3' ' F' ' 15' ' ' GLN . 3.9 ttt 64.04 34.26 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.66 133.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -104.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 163.55 21.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -177.94 121.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.74 130.65 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.517 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.4 mp -133.96 127.35 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.324 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.14 100.55 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.77 99.88 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.39 102.38 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.14 103.75 13.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -134.3 74.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -77.15 65.38 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.16 -170.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.9 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -52.05 143.47 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -177.27 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 19.1 m -137.96 -173.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.051 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 63.33 41.13 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -145.64 146.72 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.16 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 96.89 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.4 mp -102.92 105.44 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' E' ' 18' ' ' VAL . 2.7 p -160.49 135.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -91.44 150.67 21.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.405 ' CE1' HG21 ' D' ' 24' ' ' VAL . 9.0 m-85 66.96 120.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 -33.6 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.67 -72.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 179.92 137.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.638 HG22 HG12 ' E' ' 24' ' ' VAL . 4.0 m -127.78 -179.03 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.5 -74.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -122.93 127.43 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.68 91.13 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.48 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.556 ' N ' HG21 ' D' ' 41' ' ' ILE . . . 102.29 33.29 4.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -79.12 106.44 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.606 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.67 137.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.597 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.0 tt -145.11 86.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 -119.22 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.41 113.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.24 34.03 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.55 132.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.99 -103.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 164.18 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.568 HG23 HG13 ' E' ' 39' ' ' VAL . 5.4 p -177.22 121.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.98 130.33 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.556 HG21 ' N ' ' D' ' 29' ' ' GLY . 2.4 mp -133.98 127.5 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.801 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.1 100.51 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 99.86 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.35 102.36 12.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.17 103.72 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 6' ' ' HIS . . . . . 0.408 ' HB2' ' CD2' ' F' ' 6' ' ' HIS . 23.5 m80 -134.35 74.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -39.81 60.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -158.84 179.93 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 61.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.95 100.25 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.934 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.88 48.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' E' ' 13' ' ' HIS . 19.8 t -144.82 136.96 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.729 ' CD2' HG12 ' E' ' 12' ' ' VAL . 7.7 m170 63.11 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -166.41 78.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.27 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 96.61 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.579 HD22 HD11 ' F' ' 17' ' ' LEU . 9.3 mp -103.42 105.64 15.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.551 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -158.69 135.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.599 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -90.49 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.42 119.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 -33.93 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.8 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.638 HG12 HG22 ' D' ' 24' ' ' VAL . 3.7 m -127.98 -178.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.58 -75.49 1.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.82 127.26 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.02 91.13 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.7 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.563 ' N ' HG21 ' E' ' 41' ' ' ILE . . . 101.4 32.67 5.11 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.44 107.16 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.607 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.6 pp -135.45 137.62 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' D' ' 17' ' ' LEU . 8.6 tt -144.71 85.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 -119.97 2.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' B' ' 35' ' ' MET . 0.4 OUTLIER -178.68 113.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 63.85 34.17 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.44 133.45 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -103.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.57 21.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.568 HG13 HG23 ' D' ' 39' ' ' VAL . 5.6 p -177.84 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.82 130.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.563 HG21 ' N ' ' E' ' 29' ' ' GLY . 2.4 mp -133.82 127.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.09 100.51 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -102.74 99.9 9.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -104.4 102.41 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.08 103.73 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 6' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' E' ' 6' ' ' HIS . 23.1 m80 -134.33 74.74 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t 51.91 -169.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.61 -124.1 5.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.56 ' CE2' HG11 ' F' ' 12' ' ' VAL . 12.4 p90 -171.53 53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 52.03 69.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' F' ' 10' ' ' TYR . 6.2 m -152.88 47.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -172.41 103.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -148.39 -74.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.504 ' HB3' ' HE1' ' C' ' 35' ' ' MET . 3.7 mp0 -96.88 114.54 26.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 95.51 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.579 HD11 HD22 ' E' ' 17' ' ' LEU . 9.4 mp -103.99 106.35 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.551 ' O ' HG23 ' E' ' 18' ' ' VAL . 2.7 p -158.57 135.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.626 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -90.51 150.3 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 66.21 117.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.25 -34.78 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.38 -70.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.46 137.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.636 HG12 HG22 ' E' ' 24' ' ' VAL . 3.6 m -127.91 -179.06 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.7 -75.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.07 127.13 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.14 90.47 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.93 89.0 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.544 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 101.06 31.71 5.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.626 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.84 107.84 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.607 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.5 pp -136.18 138.39 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' F' ' 32' ' ' ILE . 7.8 tt -145.68 85.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 -120.56 2.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' C' ' 35' ' ' MET . 0.4 OUTLIER -179.2 113.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.07 34.23 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.64 133.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.44 -104.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.7 163.62 21.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.521 HG13 HG23 ' E' ' 39' ' ' VAL . 5.5 p -177.98 121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.76 130.71 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.544 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.4 mp -133.92 127.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 103.56 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.52 98.87 8.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.98 103.12 13.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.43 98.72 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.14 -38.87 10.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -172.88 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.49 -38.82 1.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 61.04 57.45 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -175.29 144.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 12' ' ' VAL . 6.0 p -116.01 121.41 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -177.98 105.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -144.19 145.84 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.471 HE22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -107.6 98.24 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 115.71 23.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.83 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.6 mp -112.95 106.65 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.768 HG12 HG22 ' B' ' 18' ' ' VAL . 5.0 m -139.85 -178.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -132.31 -37.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -173.92 162.55 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.07 68.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.14 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.5 55.54 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG21 ' OD1' ' A' ' 27' ' ' ASN . 7.1 p -65.61 145.46 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -87.39 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -131.54 127.96 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.822 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG21 ' A' ' 24' ' ' VAL . 30.3 m-20 -95.44 83.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 58.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.88 34.15 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.47 114.19 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -140.43 135.68 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.706 HD13 ' O ' ' A' ' 18' ' ' VAL . 3.3 tt -148.64 83.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -134.1 143.55 15.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 123.89 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.725 ' HE3' HD13 ' D' ' 34' ' ' LEU . 2.9 tmm? 64.64 50.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 33' ' ' GLY . 86.4 t -91.25 143.47 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.34 -139.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.86 174.89 42.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.894 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -178.26 127.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.28 130.38 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.9 mt -132.42 136.18 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.37 103.51 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.52 98.95 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -102.03 103.06 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.41 98.7 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.97 -57.71 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -168.45 -73.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 158.59 7.48 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 63.19 102.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 141.48 19.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' C' ' 11' ' ' GLU . 26.8 m -69.25 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 57.97 95.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -105.8 -58.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.482 HE22 HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -107.69 98.07 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 115.75 23.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.6 mp -112.91 106.79 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.768 HG22 HG12 ' A' ' 18' ' ' VAL . 6.8 m -140.16 -178.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.524 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -131.58 -38.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.34 163.07 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.01 68.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.42 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.47 56.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' B' ' 27' ' ' ASN . 7.3 p -65.33 145.65 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.43 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -81.08 -87.38 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -132.33 126.63 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' B' ' 24' ' ' VAL . 30.5 m-20 -95.81 84.63 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.16 59.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 126.7 32.9 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.83 113.95 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.598 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -139.83 136.32 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.83 HD11 ' HB3' ' A' ' 17' ' ' LEU . 3.7 tt -149.01 82.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.576 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -134.43 143.68 15.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -79.15 124.16 28.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.715 ' HE3' HD13 ' E' ' 34' ' ' LEU . 3.0 tmm? 64.14 50.54 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 33' ' ' GLY . 89.5 t -90.99 143.27 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.18 -139.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.03 174.72 43.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.894 HG13 HG23 ' A' ' 39' ' ' VAL . 4.2 p -178.31 127.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.3 t -121.74 130.72 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.9 mt -132.24 136.03 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.794 0.331 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.3 103.56 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.59 98.93 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -101.93 103.03 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 98.7 8.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.84 83.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.97 39.01 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 7.6 p -76.21 109.84 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.7 113.97 0.5 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 -70.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.51 ' HB2' HG11 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -129.29 141.74 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.98 71.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -123.08 -74.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m80 71.31 -70.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.505 HE22 HD13 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -107.68 98.73 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.81 115.33 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.505 HD13 HE22 ' C' ' 15' ' ' GLN . 1.6 mp -113.66 105.98 13.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.763 HG22 HG12 ' B' ' 18' ' ' VAL . 11.0 m -140.28 -177.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.581 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -131.56 -38.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -173.75 163.45 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.29 67.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.96 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.58 56.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' C' ' 27' ' ' ASN . 7.2 p -64.86 146.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' B' ' 24' ' ' VAL . . . -80.95 -87.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.48 126.42 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' C' ' 24' ' ' VAL . 31.5 m-20 -96.35 85.01 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.81 59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.528 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 126.43 31.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.54 113.87 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -139.68 137.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' B' ' 17' ' ' LEU . 3.7 tt -150.04 82.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.54 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -135.0 142.81 14.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.647 HD13 ' HE3' ' E' ' 35' ' ' MET . 0.2 OUTLIER -79.96 124.23 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.751 ' HE3' HD13 ' F' ' 34' ' ' LEU . 3.0 tmm? 64.68 50.36 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.54 HG23 ' O ' ' C' ' 33' ' ' GLY . 89.0 t -91.79 143.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.22 -139.76 1.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.32 174.83 43.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.891 HG13 HG23 ' B' ' 39' ' ' VAL . 4.2 p -178.36 127.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.36 131.1 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.528 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.9 mt -132.12 136.17 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.46 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.28 103.53 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.53 98.94 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.96 103.1 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.46 98.76 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.82 83.77 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -116.19 37.71 3.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.82 -43.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.86 -139.0 30.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.81 140.05 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -53.51 107.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -81.45 -61.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.82 179.89 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -162.16 113.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.489 HE22 HD13 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -107.67 98.12 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.82 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.821 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -112.99 106.9 15.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.727 HG12 HG22 ' E' ' 18' ' ' VAL . 5.3 m -139.64 -178.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.404 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.5 OUTLIER -132.29 -37.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -173.72 162.55 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 68.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.08 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.57 55.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.505 HG21 ' OD1' ' D' ' 27' ' ' ASN . 7.2 p -65.85 145.48 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.29 -87.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -131.51 127.64 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' D' ' 24' ' ' VAL . 30.6 m-20 -94.96 83.69 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.99 59.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 127.17 34.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.404 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.68 113.96 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -140.39 135.6 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.699 HD13 ' O ' ' D' ' 18' ' ' VAL . 3.3 tt -148.96 84.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.577 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -133.71 143.81 15.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.725 HD13 ' HE3' ' A' ' 35' ' ' MET . 0.2 OUTLIER -78.12 123.29 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.621 ' HB2' HD21 ' B' ' 34' ' ' LEU . 2.9 tmm? 64.44 50.89 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.577 HG23 ' O ' ' D' ' 33' ' ' GLY . 86.6 t -91.47 143.6 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 -139.72 1.86 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.0 175.08 42.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' E' ' 39' ' ' VAL . 4.3 p -178.03 127.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -122.2 130.42 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.9 mt -132.61 136.24 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.774 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.32 103.47 14.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.51 98.9 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.94 103.04 13.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 98.72 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -110.87 83.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -88.54 87.16 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -63.1 116.83 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.94 127.71 2.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -169.9 171.4 7.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -128.52 -39.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.73 129.05 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -81.37 -178.16 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -106.53 -72.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.484 HE22 HD13 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -107.64 98.0 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.62 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -112.88 107.03 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.743 HG12 HG22 ' F' ' 18' ' ' VAL . 6.4 m -139.89 -178.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -131.63 -38.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.43 163.03 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.17 68.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.4 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.27 56.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.536 HG21 ' OD1' ' E' ' 27' ' ' ASN . 7.3 p -65.43 145.56 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' D' ' 24' ' ' VAL . . . -81.14 -87.4 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.32 126.68 33.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.536 ' OD1' HG21 ' E' ' 24' ' ' VAL . 29.5 m-20 -95.74 84.44 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.13 59.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 126.7 32.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.78 113.97 18.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.83 136.27 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.821 HD11 ' HB3' ' D' ' 17' ' ' LEU . 3.7 tt -148.9 83.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.57 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -134.0 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.715 HD13 ' HE3' ' B' ' 35' ' ' MET . 0.3 OUTLIER -78.95 124.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.955 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.647 ' HE3' HD13 ' C' ' 34' ' ' LEU . 2.9 tmm? 64.05 50.65 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.57 HG23 ' O ' ' E' ' 33' ' ' GLY . 89.5 t -91.04 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.21 -139.62 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 174.81 43.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' D' ' 39' ' ' VAL . 4.2 p -178.21 127.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.82 130.64 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.546 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.9 mt -132.34 136.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.425 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.26 103.51 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.53 98.93 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -102.0 103.12 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.4 98.69 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.7 103.29 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -72.94 174.64 7.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.37 -168.29 22.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.07 -65.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.52 123.28 21.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.24 141.2 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -137.71 96.13 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -76.91 -38.32 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.76 98.45 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' E' ' 17' ' ' LEU . 1.6 mp -113.89 106.14 14.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.743 HG22 HG12 ' E' ' 18' ' ' VAL . 10.9 m -140.04 -177.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.582 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -131.49 -38.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -173.85 163.37 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.38 67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.98 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.65 56.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.543 HG21 ' OD1' ' F' ' 27' ' ' ASN . 7.2 p -64.95 146.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.456 ' H ' HG13 ' E' ' 24' ' ' VAL . . . -80.9 -87.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -132.5 126.41 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.543 ' OD1' HG21 ' F' ' 24' ' ' VAL . 31.2 m-20 -96.15 84.82 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.72 59.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.512 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 126.42 31.72 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.537 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.56 113.76 18.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.572 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -139.62 137.37 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' E' ' 17' ' ' LEU . 3.7 tt -149.91 82.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.525 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -134.76 143.2 14.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.751 HD13 ' HE3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -79.92 124.09 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.94 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.25 50.62 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' F' ' 33' ' ' GLY . 90.2 t -91.66 143.97 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -139.8 1.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.17 174.89 43.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -178.3 127.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.64 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.512 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.9 mt -132.29 136.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.425 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.21 101.56 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 101.01 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.76 100.86 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.46 101.68 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.89 68.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.77 39.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.62 178.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.79 -104.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.08 83.19 2.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -161.72 141.75 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -148.53 150.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -176.42 52.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -159.2 -176.61 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.751 ' OE1' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -99.09 104.28 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.18 117.23 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD13 ' OE1' ' A' ' 15' ' ' GLN . 1.5 mp -115.05 106.29 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.587 HG23 HG13 ' B' ' 18' ' ' VAL . 8.5 p -138.02 160.3 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 18' ' ' VAL . 1.9 t80 -119.46 -50.19 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.5 m-85 -106.78 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.54 146.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 51.42 72.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.798 HG21 ' CD1' ' A' ' 20' ' ' PHE . 8.3 p -117.77 138.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.46 -122.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -102.36 140.22 36.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -100.26 82.61 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -104.98 84.78 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.641 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 104.77 31.26 4.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 113.45 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -139.37 135.93 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.711 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -141.8 80.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -135.79 137.52 9.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 128.7 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.594 ' CE ' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 64.58 46.9 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' GLY . 99.4 t -94.44 144.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.61 -158.46 15.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.49 166.53 2.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.34 141.83 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' A' ' 41' ' ' ILE . 38.9 t -133.32 109.36 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 40' ' ' VAL . 19.0 mm -134.14 123.23 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.25 101.64 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.04 101.1 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.74 100.91 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.47 101.65 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -106.91 68.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.35 -39.53 89.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 85.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.15 -144.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -118.75 42.79 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -139.32 49.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -73.29 176.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.26 138.77 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -61.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.764 ' OE1' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -99.12 104.11 16.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.76 116.92 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.764 HD13 ' OE1' ' B' ' 15' ' ' GLN . 1.5 mp -115.46 105.57 12.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.632 HG23 HG13 ' C' ' 18' ' ' VAL . 8.2 p -138.48 160.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.8 t80 -119.79 -50.78 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' B' ' 24' ' ' VAL . 30.3 m-85 -106.26 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.84 146.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 51.11 73.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' B' ' 20' ' ' PHE . 8.7 p -117.34 137.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.8 -121.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -102.79 139.28 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.29 83.44 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.47 85.08 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.605 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 104.25 30.55 5.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.57 112.66 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.627 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -139.56 135.96 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.729 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.9 tt -142.8 80.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.519 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -135.42 137.67 9.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.68 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.616 ' CE ' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 64.57 46.81 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 33' ' ' GLY . 99.8 t -94.36 144.39 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.32 -158.67 14.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.51 166.19 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.62 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.663 ' O ' HD13 ' B' ' 41' ' ' ILE . 38.9 t -133.02 109.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.663 HD13 ' O ' ' B' ' 40' ' ' VAL . 18.3 mm -133.67 123.5 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 101.53 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.95 101.03 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.68 100.9 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.41 101.68 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -106.92 68.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.59 117.82 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.88 155.95 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.34 155.28 22.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.27 96.46 4.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.33 156.65 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -158.05 163.45 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.1 -76.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.768 ' OE1' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -99.28 104.6 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 117.02 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.768 HD13 ' OE1' ' C' ' 15' ' ' GLN . 1.4 mp -115.92 104.81 11.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.632 HG13 HG23 ' B' ' 18' ' ' VAL . 8.4 p -139.99 160.33 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.073 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.729 ' HE1' HG22 ' B' ' 32' ' ' ILE . 1.9 t80 -120.59 -50.12 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' C' ' 24' ' ' VAL . 27.1 m-85 -105.28 -173.21 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.53 -45.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.84 145.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.92 73.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.666 HG21 ' CD1' ' C' ' 20' ' ' PHE . 8.7 p -117.15 137.69 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.73 -121.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -102.93 139.03 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.83 82.78 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.89 85.53 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 104.07 29.3 5.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -79.63 112.86 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.611 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -140.23 135.94 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' B' ' 17' ' ' LEU . 13.9 tt -144.13 79.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.517 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -136.17 137.91 9.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.439 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.6 ' CE ' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 64.96 47.07 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.517 HG23 ' O ' ' C' ' 33' ' ' GLY . 99.3 t -94.97 144.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -158.74 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 166.39 2.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.3 141.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.646 ' O ' HD13 ' C' ' 41' ' ' ILE . 39.2 t -133.44 109.56 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.646 HD13 ' O ' ' C' ' 40' ' ' VAL . 20.0 mm -134.01 123.36 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 101.59 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.99 100.98 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -103.73 100.97 10.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.5 101.71 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.91 68.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -94.62 51.31 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -106.03 -173.79 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.27 54.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -142.04 135.23 29.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.65 176.03 8.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.63 -37.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -150.5 142.38 23.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -171.43 141.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.756 ' OE1' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -99.16 104.48 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 117.4 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.756 HD13 ' OE1' ' D' ' 15' ' ' GLN . 1.4 mp -114.81 106.67 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.555 HG23 HG13 ' E' ' 18' ' ' VAL . 8.6 p -137.94 160.37 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.415 ' N ' HG22 ' D' ' 18' ' ' VAL . 2.0 t80 -118.93 -49.95 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CD1' HG21 ' D' ' 24' ' ' VAL . 31.8 m-85 -106.58 -172.24 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.5 -45.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.67 147.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 51.52 71.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CD1' ' D' ' 20' ' ' PHE . 8.2 p -118.24 137.87 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -121.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -102.48 140.18 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -99.67 82.58 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -105.03 84.94 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.653 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 104.87 31.26 4.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 113.78 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.623 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -139.43 136.0 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.0 tt -141.59 80.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.516 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -135.42 137.46 9.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.438 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -80.2 128.53 33.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 110.929 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.43 47.13 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 33' ' ' GLY . 96.6 t -94.61 144.25 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.56 -158.32 14.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.42 166.49 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.94 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.656 ' O ' HD13 ' D' ' 41' ' ' ILE . 38.9 t -133.08 109.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.656 HD13 ' O ' ' D' ' 40' ' ' VAL . 19.2 mm -134.02 123.25 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.18 101.59 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.98 101.03 10.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -103.74 100.86 10.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.41 101.67 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -106.87 68.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.66 100.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.64 84.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.64 -33.96 55.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 58.37 79.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.538 ' HG3' HG13 ' E' ' 12' ' ' VAL . 9.9 pt-20 -114.93 -36.66 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' E' ' 11' ' ' GLU . 27.9 m -109.78 44.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -116.15 109.53 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -133.69 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.767 ' OE1' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -99.05 104.27 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 116.74 25.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' E' ' 15' ' ' GLN . 1.5 mp -115.73 105.89 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.653 HG23 HG13 ' F' ' 18' ' ' VAL . 8.1 p -138.16 160.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.8 t80 -119.44 -51.09 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' E' ' 24' ' ' VAL . 31.0 m-85 -106.35 -172.55 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.1 -44.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.81 146.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 51.08 72.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' E' ' 20' ' ' PHE . 8.8 p -117.35 137.75 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -121.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -102.85 139.4 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.11 83.35 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.48 84.94 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.618 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 104.32 30.56 4.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.57 113.08 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.57 136.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.9 tt -142.5 80.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.507 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -135.36 137.57 9.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.616 HD13 ' CE ' ' B' ' 35' ' ' MET . 0.3 OUTLIER -80.59 128.64 33.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.2 47.04 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' E' ' 33' ' ' GLY . 99.2 t -94.38 144.57 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.24 -158.61 13.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.61 166.38 2.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' E' ' 41' ' ' ILE . 39.0 t -132.98 109.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' E' ' 40' ' ' VAL . 18.6 mm -133.86 123.45 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.24 101.64 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 101.01 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.75 100.9 10.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.44 101.69 11.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.94 68.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.2 111.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.49 -53.79 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.81 -156.16 22.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -63.94 166.21 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.972 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -55.38 134.26 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -137.09 146.87 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.75 169.94 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -54.42 -37.92 65.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.757 ' OE1' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -99.0 104.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 116.43 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.757 HD13 ' OE1' ' F' ' 15' ' ' GLN . 1.4 mp -116.26 104.78 11.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.653 HG13 HG23 ' E' ' 18' ' ' VAL . 8.3 p -139.71 160.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' E' ' 32' ' ' ILE . 1.9 t80 -120.37 -50.36 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.672 ' CD1' HG21 ' F' ' 24' ' ' VAL . 27.6 m-85 -105.42 -173.25 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.62 -45.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.85 145.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.88 73.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' F' ' 20' ' ' PHE . 8.8 p -117.19 137.8 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.68 -121.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -103.01 139.16 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.71 82.75 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.9 85.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 104.17 29.34 5.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -79.75 113.0 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -140.12 136.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.564 HG13 HG23 ' E' ' 32' ' ' ILE . 13.9 tt -143.98 79.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.512 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -135.93 138.05 9.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.6 HD13 ' CE ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -80.54 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.51 47.08 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.512 HG23 ' O ' ' F' ' 33' ' ' GLY . 99.5 t -94.66 144.41 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.57 -158.74 15.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.79 166.43 2.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.32 141.74 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.65 ' O ' HD13 ' F' ' 41' ' ' ILE . 39.0 t -133.25 109.4 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.65 HD13 ' O ' ' F' ' 40' ' ' VAL . 19.8 mm -134.0 123.31 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.14 100.41 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.06 101.3 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.43 100.41 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.98 101.23 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -107.93 98.34 7.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.49 -72.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 t -179.38 -74.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.86 -156.59 18.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -153.86 97.71 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.67 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t 63.61 105.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -139.72 -74.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m170 56.6 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 103.83 12.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 32' ' ' ILE . 8.9 mp -104.38 96.56 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.891 HG12 HG22 ' B' ' 18' ' ' VAL . 5.8 m -139.41 175.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -138.3 -41.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 24' ' ' VAL . 12.4 m-85 -129.8 141.51 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.0 33.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.12 53.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.39 118.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 20' ' ' PHE . 9.9 p -140.31 143.76 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.86 -115.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.83 136.51 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.15 89.12 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.17 69.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.552 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 114.23 53.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -99.1 114.53 27.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.648 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -138.23 134.79 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.548 HG22 ' HE1' ' B' ' 19' ' ' PHE . 11.4 tt -141.38 84.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.09 155.13 23.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' D' ' 34' ' ' LEU . 0.2 OUTLIER -102.42 126.36 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.588 ' HB2' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 66.45 36.95 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.15 148.02 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.63 -147.76 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.24 166.01 51.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 31' ' ' ILE . 97.0 t -150.22 141.7 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.22 123.58 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.7 mt -130.42 136.53 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.23 100.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.33 10.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.45 100.35 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.91 101.22 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -107.99 98.33 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -66.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 72.11 -69.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.02 -122.03 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -141.73 116.11 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.65 76.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -146.64 71.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 52.63 89.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -99.35 127.13 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.02 110.84 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.22 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' B' ' 34' ' ' LEU . 9.0 mp -105.14 96.37 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.891 HG22 HG12 ' A' ' 18' ' ' VAL . 5.9 m -139.6 175.41 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -138.61 -41.78 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.707 ' CD1' HG21 ' B' ' 24' ' ' VAL . 13.5 m-85 -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.76 33.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.91 54.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.12 119.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -140.15 143.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.58 -114.7 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.31 135.45 46.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -100.66 89.47 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.76 70.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 113.52 53.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -101.0 113.73 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.648 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -137.94 134.78 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.564 HG22 ' HE1' ' C' ' 19' ' ' PHE . 11.7 tt -141.73 83.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.8 23.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' E' ' 35' ' ' MET . 0.2 OUTLIER -102.41 126.39 49.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.594 ' HB2' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 66.56 36.97 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 148.28 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.44 -147.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.42 165.95 50.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.561 HG11 HG21 ' B' ' 31' ' ' ILE . 99.1 t -150.31 141.75 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.04 123.75 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.7 mt -130.4 136.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.536 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.25 100.39 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.01 101.3 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.4 100.4 10.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.94 101.15 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -108.01 98.37 7.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t 58.65 -170.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.15 170.09 24.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 52.04 77.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 175.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -52.84 -35.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -51.74 122.68 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -155.73 40.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.81 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.75 103.37 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.606 HD21 ' CD2' ' C' ' 34' ' ' LEU . 9.0 mp -105.12 96.27 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.873 HG22 HG12 ' B' ' 18' ' ' VAL . 6.5 m -139.59 175.02 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -138.76 -41.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' C' ' 24' ' ' VAL . 10.2 m-85 -129.68 140.91 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.17 32.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.45 54.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.07 119.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.676 HG21 ' CD1' ' C' ' 20' ' ' PHE . 9.9 p -139.18 142.97 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.188 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -113.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.44 134.44 48.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.9 0.381 . . . . 0.0 110.817 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -101.18 88.62 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.74 70.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 113.62 52.64 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -102.15 113.57 26.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.613 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -138.42 135.45 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.533 HG23 ' O ' ' C' ' 32' ' ' ILE . 11.9 tt -142.76 83.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.61 154.62 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.606 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -103.03 126.96 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.475 ' HB2' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 66.99 36.87 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.94 148.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 -147.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.19 50.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.543 HG11 HG21 ' C' ' 31' ' ' ILE . 99.1 t -150.26 141.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.72 123.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.543 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.7 mt -130.59 136.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.536 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.19 100.37 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.04 101.33 10.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -104.44 100.4 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.93 101.2 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -107.97 98.28 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.6 -51.58 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.74 179.67 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.32 80.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 62.16 174.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 145.06 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.0 138.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.69 154.17 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -134.78 143.5 47.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.0 110.56 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 104.03 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' E' ' 32' ' ' ILE . 8.9 mp -104.4 96.63 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.858 HG12 HG22 ' E' ' 18' ' ' VAL . 5.5 m -139.18 175.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.475 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -138.27 -41.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.712 ' CD1' HG21 ' D' ' 24' ' ' VAL . 11.9 m-85 -129.67 141.71 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.06 34.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.97 53.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.18 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.712 HG21 ' CD1' ' D' ' 20' ' ' PHE . 9.9 p -140.64 143.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 -114.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.95 136.37 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.83 89.08 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.15 70.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 114.33 53.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -99.52 114.47 27.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -137.97 134.65 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.553 HG22 ' HE1' ' E' ' 19' ' ' PHE . 11.4 tt -141.32 84.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.409 ' HA3' HG21 ' D' ' 36' ' ' VAL . . . -138.85 155.21 23.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -102.28 126.05 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.6 ' HB2' HD13 ' A' ' 34' ' ' LEU . 3.3 tmm? 66.64 37.15 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.409 HG21 ' HA3' ' D' ' 33' ' ' GLY . 41.7 t -88.48 148.03 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.8 -147.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.51 166.0 50.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.532 HG11 HG21 ' D' ' 31' ' ' ILE . 99.5 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.14 123.71 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.7 mt -130.34 136.62 58.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.16 100.43 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.35 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.33 100.35 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.88 101.28 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -107.91 98.3 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.3 42.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -144.12 93.39 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.27 -123.05 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -86.01 116.44 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.554 ' O ' HG22 ' E' ' 12' ' ' VAL . 73.2 mt-10 -135.87 -66.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.554 HG22 ' O ' ' E' ' 11' ' ' GLU . 12.1 m 43.48 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.45 153.13 39.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -126.5 121.59 32.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -101.97 110.95 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.28 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD11 ' F' ' 32' ' ' ILE . 8.9 mp -105.18 96.56 6.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.872 HG12 HG22 ' F' ' 18' ' ' VAL . 5.9 m -139.59 175.45 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -138.57 -41.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.702 ' CD1' HG21 ' E' ' 24' ' ' VAL . 13.4 m-85 -130.18 141.44 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.68 33.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.78 54.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 119.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.702 HG21 ' CD1' ' E' ' 20' ' ' PHE . 9.9 p -140.24 143.82 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.38 -114.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.32 135.82 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.67 89.48 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.83 70.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 113.5 53.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.587 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -100.94 113.82 27.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.708 0.29 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -137.96 134.7 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.581 HG22 ' HE1' ' F' ' 19' ' ' PHE . 11.6 tt -141.58 83.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' E' ' 36' ' ' VAL . . . -138.94 154.87 23.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' B' ' 35' ' ' MET . 0.2 OUTLIER -102.53 126.35 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.55 ' HB2' HD13 ' B' ' 34' ' ' LEU . 3.3 tmm? 66.51 37.07 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' E' ' 33' ' ' GLY . 41.6 t -88.36 148.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.6 -147.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.05 50.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.528 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.55 HG11 HG21 ' E' ' 31' ' ' ILE . 99.9 t -150.23 141.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.98 123.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.556 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.7 mt -130.51 136.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.528 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.16 100.43 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.29 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.39 100.37 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.9 101.19 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -108.01 98.35 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 89.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -100.42 -36.05 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.4 164.54 1.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 62.75 -177.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.26 90.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -147.85 81.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.15 142.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -142.49 -56.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.11 110.76 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.82 103.32 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.607 HD21 ' CD2' ' F' ' 34' ' ' LEU . 9.0 mp -105.06 96.36 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.872 HG22 HG12 ' E' ' 18' ' ' VAL . 6.7 m -139.53 175.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -138.65 -42.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' F' ' 24' ' ' VAL . 10.3 m-85 -129.7 140.96 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.09 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.47 54.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.05 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' F' ' 20' ' ' PHE . 10.0 p -139.37 143.08 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.68 -113.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.38 134.67 48.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.2 88.71 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.79 70.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.541 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 113.57 52.53 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -102.12 113.51 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.629 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -138.43 135.46 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.531 HG23 ' O ' ' F' ' 32' ' ' ILE . 11.8 tt -142.53 83.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.47 154.62 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.607 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.97 126.82 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.428 ' HB2' HD13 ' C' ' 34' ' ' LEU . 3.3 tmm? 66.97 36.96 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.92 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.25 -147.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 166.11 50.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.535 HG11 HG21 ' F' ' 31' ' ' ILE . 99.4 t -150.18 142.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.89 123.72 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.541 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.7 mt -130.53 136.74 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.528 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.58 98.48 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.13 101.47 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -102.07 100.57 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.99 100.63 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.18 79.36 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.03 -38.24 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 -171.43 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.2 -152.79 17.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.98 124.27 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.952 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.7 -70.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' B' ' 14' ' ' HIS . 7.1 p -173.42 -35.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -47.64 123.45 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -139.07 -64.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.24 101.77 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.04 108.87 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.8 mp -109.19 105.83 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -140.68 176.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.21 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 24' ' ' VAL . 27.7 m-85 -123.43 -166.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.81 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -142.07 -165.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.56 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 20' ' ' PHE . 10.5 p -106.86 -34.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.95 -102.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -131.24 131.55 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' B' ' 24' ' ' VAL . 2.4 m-20 -95.19 81.86 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.34 69.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.587 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 128.62 35.69 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.23 115.32 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.0 pp -134.74 131.35 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.482 HG22 ' HE1' ' B' ' 19' ' ' PHE . 5.4 tt -142.48 85.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 36' ' ' VAL . . . -130.95 131.89 6.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -95.06 33.03 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.407 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER 178.87 35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 33' ' ' GLY . 98.8 t -97.77 143.98 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.59 62.84 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.15 142.97 5.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.699 HG21 HG21 ' A' ' 31' ' ' ILE . 6.1 p -177.39 131.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' O ' HD13 ' A' ' 41' ' ' ILE . 22.0 t -132.29 124.97 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.587 HG21 ' HA2' ' A' ' 29' ' ' GLY . 23.1 mm -127.72 129.58 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.57 98.36 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.09 101.45 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -101.77 100.14 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.77 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -95.92 79.12 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.5 -37.51 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m 63.49 164.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.37 -101.18 2.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -131.37 122.3 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -169.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 m -91.61 178.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.7 m80 59.19 90.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.524 ' HB2' HG22 ' A' ' 12' ' ' VAL . 37.7 t60 -177.41 93.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.76 101.9 12.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.72 108.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.7 mp -109.4 105.41 14.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.84 HG23 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -140.35 176.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.4 t80 -133.23 -40.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' B' ' 24' ' ' VAL . 27.9 m-85 -123.44 -167.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.0 -164.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.52 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -106.76 -34.84 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.33 -103.43 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.98 130.08 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.21 83.27 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 69.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 128.41 35.55 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -93.94 113.9 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.725 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.0 pp -134.97 130.97 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 17' ' ' LEU . 5.7 tt -142.27 85.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' B' ' 36' ' ' VAL . . . -129.85 132.35 7.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -95.13 32.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.55 35.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.427 HG23 ' HA3' ' B' ' 33' ' ' GLY . 98.6 t -97.55 144.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.66 62.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.88 143.14 5.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.693 HG21 HG21 ' B' ' 31' ' ' ILE . 6.3 p -177.43 132.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.443 ' O ' HD13 ' B' ' 41' ' ' ILE . 22.0 t -131.9 125.22 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.575 HG21 ' HA2' ' B' ' 29' ' ' GLY . 22.8 mm -127.37 129.75 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.765 0.316 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.55 98.29 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.07 101.42 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -101.91 100.32 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.93 100.33 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.29 79.09 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -35.77 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -103.23 -170.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.69 -154.35 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -68.76 87.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.408 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -65.42 163.71 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.34 159.38 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.8 m80 63.03 53.65 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -52.83 -36.4 58.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.42 101.56 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.85 108.7 16.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' C' ' 34' ' ' LEU . 1.6 mp -109.46 105.17 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.806 HG23 HG13 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -141.14 176.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.516 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 1.3 t80 -133.1 -39.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.72 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.67 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.38 -164.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.63 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.24 -34.74 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.96 -103.36 0.89 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.83 129.74 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.09 83.1 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 69.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.67 33.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -95.22 112.98 24.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.664 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.9 pp -134.76 132.03 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' B' ' 17' ' ' LEU . 5.8 tt -142.25 85.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' C' ' 36' ' ' VAL . . . -130.09 131.57 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -95.64 32.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.94 35.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.402 HG23 ' HA3' ' C' ' 33' ' ' GLY . 95.4 t -97.94 144.33 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.62 63.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.02 142.8 5.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.633 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -177.79 131.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.446 ' O ' HD13 ' C' ' 41' ' ' ILE . 21.9 t -132.24 125.11 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.446 HD13 ' O ' ' C' ' 40' ' ' VAL . 23.1 mm -127.78 129.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.096 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.58 98.42 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.06 101.44 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -101.98 100.35 10.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 100.62 10.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.19 79.13 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.71 -43.12 6.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t 72.16 -69.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.98 -152.03 22.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.11 136.74 52.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -154.38 130.97 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.53 41.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -87.23 62.85 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -177.74 174.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.41 101.88 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -116.71 109.02 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -109.28 105.99 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.779 HG13 HG23 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.67 176.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.24 -39.64 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' D' ' 24' ' ' VAL . 26.7 m-85 -123.21 -167.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.79 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -141.75 -165.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 100.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' D' ' 20' ' ' PHE . 10.6 p -106.93 -34.4 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.42 -102.5 0.83 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.14 131.49 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 81.87 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.76 69.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.6 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 128.74 35.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 115.75 28.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.719 HG21 HG21 ' D' ' 39' ' ' VAL . 2.0 pp -134.48 131.44 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.444 HG22 ' HE1' ' E' ' 19' ' ' PHE . 5.2 tt -142.16 86.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' D' ' 36' ' ' VAL . . . -130.43 132.47 6.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.46 ' CD2' HD21 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -94.97 33.02 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.38 35.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.414 HG23 ' HA3' ' D' ' 33' ' ' GLY . 99.6 t -98.24 143.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.87 62.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.19 143.32 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.719 HG21 HG21 ' D' ' 31' ' ' ILE . 5.9 p -177.02 132.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.434 ' O ' HD13 ' D' ' 41' ' ' ILE . 21.9 t -132.01 124.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.6 HG21 ' HA2' ' D' ' 29' ' ' GLY . 23.6 mm -127.88 129.47 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.837 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.54 98.34 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.02 101.36 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -101.94 100.35 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.99 100.44 10.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.23 79.12 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -37.57 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -102.98 177.61 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.72 117.47 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -88.87 145.45 25.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.16 -72.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -145.65 168.14 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -86.2 -175.82 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -144.1 144.93 31.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.35 101.67 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.86 108.28 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -109.68 105.68 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.779 HG23 HG13 ' D' ' 18' ' ' VAL . 0.0 OUTLIER -140.17 176.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.4 t80 -133.18 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.437 ' CD1' HG21 ' E' ' 24' ' ' VAL . 26.8 m-85 -123.63 -167.34 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.16 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -142.96 -164.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.38 99.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' E' ' 20' ' ' PHE . 10.1 p -106.83 -34.79 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -103.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.06 130.24 42.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.25 83.22 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.607 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 128.39 35.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -93.79 114.16 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' E' ' 39' ' ' VAL . 2.0 pp -134.93 130.94 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.728 HD11 ' HB3' ' D' ' 17' ' ' LEU . 5.7 tt -141.94 86.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' E' ' 36' ' ' VAL . . . -129.75 132.36 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -95.08 32.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.47 35.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.416 HG23 ' HA3' ' E' ' 33' ' ' GLY . 98.6 t -97.63 144.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.71 62.8 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 142.82 5.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' E' ' 31' ' ' ILE . 6.2 p -177.68 131.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.435 ' O ' HD13 ' E' ' 41' ' ' ILE . 22.0 t -132.11 125.16 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.607 HG21 ' HA2' ' E' ' 29' ' ' GLY . 22.8 mm -127.52 129.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.52 98.3 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.07 101.39 10.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -101.88 100.33 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.98 100.51 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.17 79.21 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -67.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.22 -76.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.35 -115.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -142.16 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -179.45 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.88 80.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.25 -175.56 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -142.83 -51.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.52 101.03 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.43 108.16 15.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' F' ' 34' ' ' LEU . 1.7 mp -109.96 105.02 14.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.747 HG23 HG13 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.94 176.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.515 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 1.3 t80 -133.05 -39.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -123.7 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.71 -33.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.39 -164.6 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.4 -34.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 -103.34 0.88 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -130.93 129.69 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.05 83.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 69.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.418 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 128.54 34.24 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -95.16 112.98 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.672 HG21 HG21 ' F' ' 39' ' ' VAL . 2.0 pp -134.83 132.13 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' E' ' 17' ' ' LEU . 5.7 tt -141.93 85.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.02 131.67 6.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -95.51 33.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.959 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.0 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.92 144.21 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.43 62.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.97 142.89 5.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.672 HG21 HG21 ' F' ' 31' ' ' ILE . 6.3 p -177.55 131.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.439 ' O ' HD13 ' F' ' 41' ' ' ILE . 21.9 t -132.37 124.87 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.439 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.9 mm -127.7 129.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.807 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.1 101.99 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.16 101.5 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.95 102.43 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.72 103.53 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -105.89 75.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -99.9 75.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 p -122.63 104.26 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.74 -58.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -77.77 65.14 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.92 -73.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.38 150.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -108.53 -174.06 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -71.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG3' ' HE3' ' D' ' 35' ' ' MET . 21.8 mp0 -113.26 114.69 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -108.58 90.91 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.614 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.3 mp -100.37 96.89 7.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 19' ' ' PHE . 4.2 t -142.02 159.4 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -127.26 147.29 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 67.51 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.37 27.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.6 -167.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.08 87.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' B' ' 24' ' ' VAL . 1.4 p -102.55 152.9 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.63 -117.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -104.41 147.77 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.15 81.45 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.83 71.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.686 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 119.44 33.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.01 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.662 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -128.13 133.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.4 tt -144.81 86.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.18 132.51 3.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' HG3' ' D' ' 35' ' ' MET . 0.1 OUTLIER -78.65 148.04 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.459 ' HE3' ' HG3' ' E' ' 15' ' ' GLN . 64.8 mmm 63.07 35.57 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.544 HG13 ' O ' ' B' ' 36' ' ' VAL . 97.4 t -103.35 130.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.37 118.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.8 111.44 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' B' ' 39' ' ' VAL . 6.1 p -177.22 133.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.39 117.35 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.686 HG21 ' CA ' ' A' ' 29' ' ' GLY . 25.2 mm -114.99 124.81 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.04 101.95 11.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.01 101.35 11.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -107.17 102.56 11.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 103.22 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -106.19 75.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.48 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 71.94 -69.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 -169.82 12.74 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 63.36 160.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.93 38.68 4.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -177.54 124.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -148.79 35.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -137.71 -79.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.497 ' HG3' ' HE3' ' E' ' 35' ' ' MET . 22.0 mp0 -114.17 114.27 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -109.4 89.0 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.722 HD22 HD11 ' C' ' 17' ' ' LEU . 9.2 mp -102.23 96.84 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' N ' ' B' ' 19' ' ' PHE . 4.1 t -141.11 159.55 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -127.25 146.54 50.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 67.14 142.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.83 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.84 -167.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.53 87.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.497 HG23 ' CG1' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -102.41 152.03 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.7 -117.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -105.14 146.09 29.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -93.22 82.35 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 71.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.666 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 118.74 33.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.89 100.36 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.8 pp -128.63 133.65 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 17' ' ' LEU . 6.5 tt -144.52 86.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.04 132.29 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -78.66 148.24 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.531 ' HE3' ' HG3' ' F' ' 15' ' ' GLN . 65.4 mmm 62.92 35.19 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 36' ' ' VAL . 88.6 t -103.7 130.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.44 119.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.438 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 111.18 3.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.902 HG13 HG23 ' A' ' 39' ' ' VAL . 6.1 p -177.49 132.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.21 117.53 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.666 HG21 ' HA2' ' B' ' 29' ' ' GLY . 24.6 mm -114.85 124.52 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.04 101.87 11.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.08 101.48 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -106.97 102.35 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 103.51 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.58 74.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 51.33 33.7 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t 51.52 35.8 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.62 -129.03 1.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.78 -50.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.32 170.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.22 148.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -175.52 157.36 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.446 ' HB3' ' NE2' ' C' ' 15' ' ' GLN . 0.4 OUTLIER -174.79 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' HE3' ' F' ' 35' ' ' MET . 21.7 mp0 -112.87 114.85 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.9 87.47 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.722 HD11 HD22 ' B' ' 17' ' ' LEU . 9.2 mp -103.93 98.13 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.411 HG12 ' N ' ' C' ' 19' ' ' PHE . 4.2 t -140.65 159.32 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.16 145.73 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 66.52 141.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.96 26.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -167.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.39 87.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' B' ' 24' ' ' VAL . 1.1 p -101.92 152.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -117.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 p -105.96 145.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.12 81.3 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.18 71.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 118.05 31.82 1.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.75 100.52 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.632 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -129.57 134.2 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' C' ' 32' ' ' ILE . 6.7 tt -144.87 85.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.12 131.83 3.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' F' ' 35' ' ' MET . 0.1 OUTLIER -78.88 147.84 32.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 mmm 63.31 35.31 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 36' ' ' VAL . 87.2 t -103.86 130.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 118.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 111.16 3.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.792 HG13 HG23 ' B' ' 39' ' ' VAL . 6.2 p -177.55 133.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.19 117.31 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' C' ' 29' ' ' GLY . 24.9 mm -115.12 124.59 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.02 101.92 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.07 101.39 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.95 102.34 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.54 103.49 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -105.72 74.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.84 -36.62 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -96.86 118.28 32.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.1 -33.59 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 63.08 161.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.59 -74.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.4 t 64.4 67.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -108.36 35.86 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -91.14 -169.48 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -113.02 114.61 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -108.41 91.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.3 mp -99.87 96.45 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' D' ' 19' ' ' PHE . 4.1 t -142.12 159.48 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.413 ' N ' HG12 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 68.06 143.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.29 27.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.02 -168.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.35 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' E' ' 24' ' ' VAL . 1.4 p -102.78 152.45 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -117.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.2 p -104.36 147.77 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -92.52 81.29 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.28 72.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.695 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 119.57 33.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.29 101.18 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -127.63 133.73 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' D' ' 32' ' ' ILE . 6.3 tt -144.44 86.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.34 132.18 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 148.09 33.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.484 ' HE3' ' HG3' ' A' ' 15' ' ' GLN . 65.9 mmm 63.27 35.36 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.594 HG13 ' O ' ' E' ' 36' ' ' VAL . 95.3 t -103.68 130.21 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.3 118.5 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 111.55 3.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' E' ' 39' ' ' VAL . 6.1 p -177.07 133.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.32 117.41 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.695 HG21 ' HA2' ' D' ' 29' ' ' GLY . 25.4 mm -115.04 124.64 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.97 101.91 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.11 101.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.9 102.33 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.53 103.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.79 74.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -69.2 91.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t 63.33 37.5 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.46 33.54 5.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.738 ' O ' HG23 ' E' ' 12' ' ' VAL . 0.2 OUTLIER -91.09 -169.31 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.929 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.55 -40.71 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.738 HG23 ' O ' ' E' ' 10' ' ' TYR . 17.3 t 64.95 153.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -51.12 103.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.407 ' HB3' ' NE2' ' E' ' 15' ' ' GLN . 1.6 t-80 -71.78 -35.82 70.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.459 ' HG3' ' HE3' ' A' ' 35' ' ' MET . 22.1 mp0 -113.15 114.25 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -109.16 89.55 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.715 HD22 HD11 ' F' ' 17' ' ' LEU . 9.2 mp -101.68 96.81 7.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' E' ' 19' ' ' PHE . 4.1 t -141.24 159.66 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -127.09 146.91 50.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 67.27 142.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.84 26.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.05 -167.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.91 87.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.464 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.0 OUTLIER -102.66 152.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.47 -117.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -105.11 146.63 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.04 82.17 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.12 71.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.687 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 118.63 33.17 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.97 100.5 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.8 pp -128.37 133.39 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' D' ' 17' ' ' LEU . 6.8 tt -144.07 86.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.09 132.42 3.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -78.59 147.92 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.497 ' HE3' ' HG3' ' B' ' 15' ' ' GLN . 67.0 mmm 63.1 35.35 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.594 ' O ' HG13 ' D' ' 36' ' ' VAL . 91.8 t -103.44 130.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.35 118.91 1.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 111.16 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' D' ' 39' ' ' VAL . 6.1 p -177.55 133.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.33 117.44 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' E' ' 29' ' ' GLY . 24.8 mm -114.91 124.73 71.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 101.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.12 101.47 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -106.9 102.44 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 103.44 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.82 74.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -63.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -75.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.3 -35.32 2.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.32 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.24 148.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.74 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -41.22 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.95 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.531 ' HG3' ' HE3' ' B' ' 35' ' ' MET . 21.8 mp0 -112.57 114.86 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.72 87.86 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.715 HD11 HD22 ' E' ' 17' ' ' LEU . 9.1 mp -103.54 97.74 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.42 HG12 ' N ' ' F' ' 19' ' ' PHE . 4.1 t -140.87 159.49 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.543 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -127.14 146.06 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 66.7 141.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.05 26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.6 -167.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -66.69 87.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.453 HG23 ' CG1' ' E' ' 24' ' ' VAL . 1.2 p -102.1 152.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.74 -117.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -105.84 145.95 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -92.87 81.29 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.48 71.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 117.94 32.09 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.76 100.43 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.651 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -129.5 134.32 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' E' ' 17' ' ' LEU . 6.6 tt -144.71 86.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.24 131.97 3.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -78.87 147.88 32.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.556 ' HE3' ' HG3' ' C' ' 15' ' ' GLN . 64.8 mmm 63.39 35.19 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.477 ' O ' HG13 ' E' ' 36' ' ' VAL . 87.4 t -103.53 130.39 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.31 119.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.0 111.11 3.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' E' ' 39' ' ' VAL . 6.2 p -177.52 133.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.27 117.26 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.622 HG21 ' HA2' ' F' ' 29' ' ' GLY . 25.4 mm -115.1 124.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.809 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.35 100.75 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.46 101.19 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -104.13 100.46 10.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.06 101.43 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -104.27 107.47 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 -36.19 11.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -177.64 61.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.79 95.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 53.19 85.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.51 113.2 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -142.41 149.21 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.162 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -59.94 -175.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.55 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.448 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -105.67 101.74 11.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.83 119.19 35.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -118.46 97.93 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.865 HG12 HG22 ' B' ' 18' ' ' VAL . 3.2 m -139.0 -171.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -148.33 -41.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 24' ' ' VAL . 28.8 m-85 -120.04 141.06 50.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.97 60.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.5 81.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 20' ' ' PHE . 7.2 p -96.96 147.0 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -93.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.69 130.54 56.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 86.39 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.8 62.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.685 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 126.26 47.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.629 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -101.17 107.8 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.605 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -133.91 132.26 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.658 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -153.75 38.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -99.43 109.38 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' B' ' 34' ' ' LEU . 2.7 pt? -52.73 135.1 35.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.419 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 65.65 84.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 33' ' ' GLY . 48.7 t -146.81 140.78 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.34 -112.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.96 134.33 8.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.64 149.9 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.15 99.21 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HA2' ' A' ' 29' ' ' GLY . 22.0 mm -98.95 125.97 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB3' ' C ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.3 100.79 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 101.13 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -104.17 100.47 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.13 101.49 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -104.28 107.52 18.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.15 -36.93 84.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.3 t -150.44 -61.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.92 -79.39 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 67.7 m-85 -154.21 -178.21 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.18 140.21 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 10' ' ' TYR . 21.9 t -135.62 -56.13 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -55.2 160.56 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -147.26 -74.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -105.58 101.3 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.36 118.73 34.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.0 OUTLIER -119.36 97.34 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.865 HG22 HG12 ' A' ' 18' ' ' VAL . 3.2 m -139.58 -171.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.658 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -148.41 -42.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.803 ' CE1' HG21 ' B' ' 24' ' ' VAL . 30.6 m-85 -120.14 141.04 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.92 -75.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.42 82.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.803 HG21 ' CE1' ' B' ' 20' ' ' PHE . 7.6 p -96.72 147.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -92.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.26 129.88 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.04 86.8 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.49 63.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 126.74 47.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.657 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -103.15 109.17 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.8 pp -133.71 132.76 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.698 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.4 tt -154.79 38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.42 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -99.83 110.71 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.591 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 pt? -53.82 135.59 41.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.33 84.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 33' ' ' GLY . 51.7 t -146.86 140.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.99 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 133.99 8.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.68 149.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.55 99.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' B' ' 29' ' ' GLY . 21.9 mm -98.85 125.84 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.22 100.76 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 101.07 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -104.09 100.41 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 101.44 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -104.18 107.5 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.7 71.29 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 11.1 t -88.4 106.06 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.52 -174.76 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.14 46.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.354 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -113.17 36.9 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.92 -35.51 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.95 157.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -113.52 -36.38 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.455 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -105.59 102.25 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.09 118.46 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.458 HD11 HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -120.28 96.0 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.859 HG22 HG12 ' B' ' 18' ' ' VAL . 3.7 m -140.12 -171.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.698 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -147.96 -42.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' C' ' 24' ' ' VAL . 26.4 m-85 -120.5 141.11 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.66 59.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.31 82.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.761 HG21 ' CE1' ' C' ' 20' ' ' PHE . 7.5 p -96.39 147.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.7 -92.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.38 129.78 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.54 86.25 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 63.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 127.47 45.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.666 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -103.81 109.6 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -132.54 133.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.649 HG13 HG23 ' B' ' 32' ' ' ILE . 14.0 tt -155.8 38.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.416 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -99.78 111.57 4.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.586 ' HB3' HD21 ' B' ' 34' ' ' LEU . 2.6 pt? -54.12 134.81 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.53 85.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 33' ' ' GLY . 53.5 t -146.51 139.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -111.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.52 133.97 8.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.63 149.88 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.6 99.1 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' C' ' 29' ' ' GLY . 22.5 mm -99.16 125.77 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.549 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.26 100.75 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.48 101.12 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.18 100.46 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.07 101.42 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -104.22 107.52 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.41 36.35 4.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.91 171.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.6 66.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -162.27 -41.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.885 0.374 . . . . 0.0 110.949 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.19 162.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 m -151.15 -178.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.97 96.34 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -120.85 168.83 11.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -105.6 101.49 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.78 119.79 37.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -118.21 98.47 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.831 HG12 HG22 ' E' ' 18' ' ' VAL . 3.2 m -138.91 -171.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.614 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.7 OUTLIER -148.27 -41.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' D' ' 24' ' ' VAL . 29.3 m-85 -119.75 141.07 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.13 60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -74.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.47 81.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' D' ' 20' ' ' PHE . 7.1 p -97.06 146.78 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.06 -92.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.72 130.32 56.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.82 86.44 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.03 62.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.7 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 126.44 47.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -101.0 107.65 19.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.625 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -133.75 132.54 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.654 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.1 tt -154.19 38.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.433 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -99.38 109.67 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' E' ' 34' ' ' LEU . 2.7 pt? -52.78 135.91 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 33' ' ' GLY . 49.6 t -147.2 140.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.79 -111.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.72 134.31 8.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.42 149.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.29 99.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.7 HG21 ' HA2' ' D' ' 29' ' ' GLY . 22.2 mm -99.04 126.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' C ' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.25 100.76 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.51 101.18 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -104.16 100.45 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.09 101.47 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -104.28 107.46 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.56 36.47 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -171.91 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.71 98.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -176.01 175.19 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.334 . . . . 0.0 110.944 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -158.68 160.81 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -55.63 -72.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -76.38 126.21 30.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -155.7 118.37 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.451 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -105.54 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.59 118.8 34.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.0 OUTLIER -119.26 97.86 5.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.843 HG12 HG22 ' F' ' 18' ' ' VAL . 3.2 m -139.38 -171.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.654 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -148.46 -42.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' E' ' 24' ' ' VAL . 30.3 m-85 -120.26 140.92 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.36 81.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' E' ' 20' ' ' PHE . 7.7 p -96.79 147.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.6 -93.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.25 129.88 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.84 86.8 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.4 63.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.646 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 126.66 47.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.653 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -103.03 109.12 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.8 pp -133.66 132.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.731 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.5 tt -154.67 38.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.431 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -99.5 111.1 4.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' F' ' 34' ' ' LEU . 2.7 pt? -53.8 135.43 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.417 ' CG ' HD11 ' B' ' 34' ' ' LEU . 0.5 OUTLIER 64.96 84.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' E' ' 33' ' ' GLY . 52.0 t -146.82 140.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.93 -111.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 134.01 8.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.6 149.78 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.45 99.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.646 HG21 ' HA2' ' E' ' 29' ' ' GLY . 21.7 mm -98.91 125.89 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.534 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.23 100.78 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 101.13 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -104.15 100.39 10.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 101.44 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -104.24 107.53 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -69.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t 52.19 41.15 30.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.04 80.82 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.72 103.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.934 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.72 41.86 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.52 -174.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.81 167.98 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -56.17 -36.15 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.457 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -105.64 101.98 11.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.23 118.51 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.47 HD11 HD22 ' E' ' 17' ' ' LEU . 1.0 OUTLIER -120.14 96.55 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.843 HG22 HG12 ' E' ' 18' ' ' VAL . 3.7 m -139.82 -171.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.731 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -148.02 -42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' F' ' 24' ' ' VAL . 26.9 m-85 -120.67 140.85 51.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.7 59.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.23 82.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' F' ' 20' ' ' PHE . 7.4 p -96.52 147.1 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.62 -92.83 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.48 129.87 56.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.44 86.11 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.87 63.46 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 127.54 45.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -103.87 109.63 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -132.62 133.27 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.663 HG13 HG23 ' E' ' 32' ' ' ILE . 14.2 tt -155.8 38.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -99.79 111.94 4.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.612 ' HB3' HD21 ' E' ' 34' ' ' LEU . 2.6 pt? -54.22 134.8 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.2 85.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' F' ' 33' ' ' GLY . 53.3 t -146.4 139.84 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.39 -111.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 133.88 8.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.58 149.85 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.52 99.14 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' F' ' 29' ' ' GLY . 22.7 mm -99.23 125.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.534 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.09 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.69 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.78 102.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.42 100.37 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.56 81.56 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.95 -36.19 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.3 m -117.63 -74.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.42 -101.37 2.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -150.0 -171.28 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -80.24 -172.2 3.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.64 150.68 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -75.49 134.52 40.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.65 -170.02 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -123.55 112.12 17.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 121.11 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -125.18 106.72 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.92 144.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.78 159.31 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 60.54 175.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.95 -36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.51 35.75 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.21 150.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG22 HG12 ' B' ' 24' ' ' VAL . 3.0 m -141.82 179.58 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.63 -71.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.56 131.75 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.77 83.65 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.39 66.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.23 35.63 0.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.22 101.17 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -130.43 135.42 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' B' ' 32' ' ' ILE . 19.7 tt -152.73 42.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.83 -120.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HG3' ' D' ' 35' ' ' MET . 2.4 tp -175.26 111.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.537 ' HE3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 64.17 35.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' B' ' 36' ' ' VAL . 21.2 t -61.63 150.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.84 12.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 HG13 ' B' ' 39' ' ' VAL . 5.0 p -177.93 123.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.27 129.86 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.492 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.5 mt -130.31 133.94 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.4 101.14 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.77 100.75 10.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -102.77 102.57 12.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.45 100.41 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -124.58 81.63 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 t -179.22 -74.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.39 -129.51 5.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -154.58 45.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.05 113.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -151.93 70.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -168.95 163.53 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -108.15 -51.02 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -123.72 111.46 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 120.45 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.571 HD22 HD11 ' C' ' 17' ' ' LEU . 0.7 OUTLIER -125.54 106.27 9.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 18' ' ' VAL . 3.6 p -160.42 143.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.68 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -95.09 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.13 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.6 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.18 35.39 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.61 150.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 24' ' ' VAL . 3.0 m -141.92 -179.95 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 -72.32 1.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 131.21 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.56 83.62 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.25 67.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.463 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 125.86 34.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.68 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.12 102.46 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.599 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -130.01 135.79 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 17' ' ' LEU . 19.2 tt -152.37 41.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.87 -120.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.785 HD22 ' HG3' ' E' ' 35' ' ' MET . 2.3 tp -175.42 111.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.684 ' HG3' HD22 ' D' ' 34' ' ' LEU . 0.6 OUTLIER 63.94 35.15 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.498 ' HB ' HG13 ' A' ' 36' ' ' VAL . 21.1 t -61.19 150.93 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 78.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 157.83 11.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.895 HG13 HG23 ' A' ' 39' ' ' VAL . 4.9 p -177.91 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.11 130.06 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.463 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.5 mt -130.0 133.89 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.43 101.14 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.8 10.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.77 102.53 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -103.55 100.47 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -124.64 81.57 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.96 59.26 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 137.91 42.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.29 115.48 7.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -52.22 161.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 61.71 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -80.98 136.47 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -77.74 143.27 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -120.28 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.429 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -123.95 111.6 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 119.28 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.571 HD11 HD22 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -127.98 105.82 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.457 ' O ' HG23 ' B' ' 18' ' ' VAL . 4.3 p -161.41 143.84 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -95.06 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.98 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.96 35.69 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.83 150.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 24' ' ' VAL . 2.9 m -141.84 179.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 -72.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.84 131.18 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.71 82.83 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.0 68.12 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.477 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 125.48 33.14 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.7 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.42 103.51 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.297 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.575 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -130.22 136.28 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.691 HG13 HG23 ' B' ' 32' ' ' ILE . 19.0 tt -152.95 40.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.07 -121.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' F' ' 35' ' ' MET . 2.4 tp -175.84 110.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.702 ' HG3' HD22 ' E' ' 34' ' ' LEU . 0.4 OUTLIER 63.91 34.83 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' B' ' 36' ' ' VAL . 20.7 t -61.07 151.58 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.95 79.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.25 158.02 12.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 39' ' ' VAL . 5.0 p -177.99 123.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.63 130.42 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.477 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.5 mt -130.34 133.77 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.843 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.84 0.353 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.14 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.81 100.76 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.77 102.57 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.51 100.38 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.63 81.66 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.87 -37.78 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.61 -46.5 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.9 -107.11 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -155.16 121.14 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.96 151.12 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 91.8 t -115.58 -71.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 73.9 m80 53.37 89.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -123.49 112.47 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 121.26 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.705 ' HB3' HD11 ' E' ' 32' ' ' ILE . 0.7 OUTLIER -124.78 106.54 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.61 144.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -95.04 159.61 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 61.17 175.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.51 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -125.31 35.22 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 65.15 150.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.461 HG22 HG12 ' E' ' 24' ' ' VAL . 3.0 m -141.9 179.12 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.69 -71.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.2 131.6 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.31 83.83 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.59 67.19 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.497 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 126.28 35.76 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.56 100.8 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.325 . . . . 0.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -130.35 135.53 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' E' ' 32' ' ' ILE . 19.8 tt -153.2 43.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.59 -119.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' B' ' 35' ' ' MET . 2.4 tp -174.73 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.601 ' HG3' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.77 35.37 11.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' E' ' 36' ' ' VAL . 21.2 t -61.21 150.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 158.06 12.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.948 HG23 HG13 ' E' ' 39' ' ' VAL . 4.8 p -177.77 123.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.34 129.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.497 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.5 mt -130.47 134.13 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.45 101.15 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.71 10.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -102.72 102.49 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.42 100.39 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -124.63 81.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.99 67.6 1.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 p -172.49 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.08 -148.97 32.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -172.74 49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.47 ' CG ' HG23 ' E' ' 12' ' ' VAL . 0.2 OUTLIER -158.97 -169.98 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' F' ' 13' ' ' HIS . 21.9 t 63.63 67.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -178.9 37.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -68.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.417 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -123.6 111.56 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.599 HD11 HD22 ' D' ' 17' ' ' LEU . 0.7 OUTLIER -125.59 106.42 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' F' ' 18' ' ' VAL . 3.8 p -160.35 143.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.679 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -95.03 158.53 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.14 174.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.53 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.95 35.35 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.42 150.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.461 HG12 HG22 ' D' ' 24' ' ' VAL . 3.0 m -141.87 -179.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 -72.19 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.68 131.32 29.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.52 83.57 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.28 67.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.479 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 125.81 34.49 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.11 102.3 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -130.04 135.71 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' D' ' 17' ' ' LEU . 19.3 tt -152.37 41.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.64 -120.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.702 HD22 ' HG3' ' C' ' 35' ' ' MET . 2.5 tp -175.15 111.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.785 ' HG3' HD22 ' B' ' 34' ' ' LEU . 0.4 OUTLIER 63.81 35.29 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' D' ' 36' ' ' VAL . 21.0 t -61.25 150.84 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.11 79.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.84 157.97 11.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.948 HG13 HG23 ' D' ' 39' ' ' VAL . 4.9 p -177.96 123.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.07 129.97 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.479 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.5 mt -130.19 133.88 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.804 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.13 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.81 100.83 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.73 102.51 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -103.52 100.43 10.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -124.54 81.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.83 86.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.04 112.24 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.12 93.93 0.16 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.21 164.39 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.15 36.33 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -166.89 128.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.733 ' HB3' HG13 ' E' ' 12' ' ' VAL . 25.2 p-80 -174.93 -172.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.36 -75.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -124.02 111.71 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 119.03 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.597 HD11 HD22 ' E' ' 17' ' ' LEU . 0.7 OUTLIER -127.91 105.59 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.455 ' O ' HG23 ' E' ' 18' ' ' VAL . 4.3 p -161.36 143.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.697 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.87 158.51 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 60.03 173.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.49 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.84 35.68 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.78 150.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 2.9 m -141.85 179.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.26 -72.25 1.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.81 131.24 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.8 82.91 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.09 68.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.478 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 125.61 33.08 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.697 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.42 103.4 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.618 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -130.25 136.53 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.698 HG13 HG23 ' E' ' 32' ' ' ILE . 18.9 tt -153.09 40.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.98 -121.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.61 110.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.64 ' HG3' HD22 ' C' ' 34' ' ' LEU . 0.5 OUTLIER 63.81 34.79 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.501 ' HB ' HG13 ' E' ' 36' ' ' VAL . 20.6 t -60.95 151.4 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.86 79.17 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.21 158.13 13.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.874 HG13 HG23 ' E' ' 39' ' ' VAL . 5.1 p -177.92 123.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.164 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.69 130.32 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.478 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.5 mt -130.27 133.93 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.784 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.739 0.304 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.705 ' CD ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -126.18 115.61 20.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE2' HG11 ' A' ' 18' ' ' VAL . 12.9 tttt -113.55 96.05 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.3 mp -102.31 102.15 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 16' ' ' LYS . 2.7 p -160.98 143.52 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.22 153.21 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 65.04 -171.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.77 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.33 -69.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -178.85 123.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 24' ' ' VAL . 6.5 m -108.85 -178.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.87 1.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -140.92 131.68 25.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.25 83.03 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 65.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 125.77 35.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.71 107.56 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.55 138.1 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.6 tt -141.57 87.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.74 132.84 4.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -78.86 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.64 ' HE3' HD11 ' E' ' 34' ' ' LEU . 3.1 tmm? 63.43 41.53 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.634 HG13 ' O ' ' B' ' 36' ' ' VAL . 87.7 t -100.71 88.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.53 94.68 2.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.69 115.01 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.596 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -177.04 123.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.71 126.56 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.0 mp -128.87 130.15 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.658 ' CD ' HD13 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -126.3 115.32 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.492 ' HE2' HG11 ' B' ' 18' ' ' VAL . 12.9 tttt -113.54 95.44 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.658 HD13 ' CD ' ' B' ' 15' ' ' GLN . 6.5 mp -103.22 101.81 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -160.1 142.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -94.14 152.22 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 64.58 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.66 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -113.33 -68.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.23 123.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 24' ' ' VAL . 6.5 m -109.51 -178.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.09 1.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.6 131.28 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.91 83.06 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 124.96 34.48 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.07 107.33 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -135.64 137.71 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 17' ' ' LEU . 9.4 tt -142.44 86.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.4 132.93 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.5 HD13 ' CE ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -78.84 137.78 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.653 ' HE3' HD11 ' F' ' 34' ' ' LEU . 3.1 tmm? 63.72 41.36 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 36' ' ' VAL . 85.2 t -101.18 88.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.3 95.35 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.83 114.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.596 HG13 HG23 ' A' ' 39' ' ' VAL . 6.6 p -177.47 123.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 0.0 111.14 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.53 126.38 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.0 mp -128.89 130.17 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.736 0.303 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.548 ' CG ' HD13 ' C' ' 17' ' ' LEU . 0.8 OUTLIER -126.28 114.92 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.68 93.94 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' C' ' 15' ' ' GLN . 6.6 mp -104.42 101.91 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.9 p -160.7 143.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.678 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -94.4 152.66 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 64.25 -173.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.78 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.88 -68.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.18 123.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.438 HG12 HG22 ' B' ' 24' ' ' VAL . 6.0 m -109.57 -178.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.07 1.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -141.85 131.27 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.809 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.08 82.6 3.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.55 66.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.503 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 124.59 33.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.38 107.81 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -136.48 137.89 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' B' ' 17' ' ' LEU . 9.4 tt -144.06 85.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.18 132.53 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.515 HD23 HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -79.14 138.09 37.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.455 ' HB2' HD22 ' F' ' 34' ' ' LEU . 3.1 tmm? 64.61 40.97 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 36' ' ' VAL . 85.6 t -101.65 88.48 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.62 95.03 2.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.76 114.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 31' ' ' ILE . 6.6 p -177.52 123.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.56 126.66 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.503 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.0 mp -128.73 130.17 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.686 ' CD ' HD13 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -127.32 114.99 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.494 ' HE2' HG11 ' D' ' 18' ' ' VAL . 12.9 tttt -113.54 95.82 5.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.781 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.5 mp -102.36 102.08 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' D' ' 16' ' ' LYS . 2.7 p -161.22 143.19 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.5 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -94.68 153.58 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 65.29 -171.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.64 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -112.43 -69.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.54 123.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.46 HG22 HG12 ' E' ' 24' ' ' VAL . 6.4 m -109.19 -178.42 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.57 -68.38 1.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -140.79 131.59 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.74 83.16 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.29 65.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.519 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 125.93 35.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.69 107.38 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.64 138.23 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.625 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.5 tt -141.38 87.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.414 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -149.14 132.56 4.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -78.58 137.37 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.5 ' CE ' HD13 ' B' ' 34' ' ' LEU . 3.1 tmm? 63.75 41.8 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.651 HG13 ' O ' ' E' ' 36' ' ' VAL . 86.7 t -100.94 88.51 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 94.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.48 115.07 1.83 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.613 HG23 HG13 ' E' ' 39' ' ' VAL . 6.5 p -176.84 123.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.71 126.46 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.519 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.0 mp -128.9 130.1 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.748 0.308 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.605 ' CD ' HD13 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -125.69 114.82 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.488 ' HE2' HG11 ' E' ' 18' ' ' VAL . 13.1 tttt -113.94 95.64 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.6 mp -103.53 102.07 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -159.93 143.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.631 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -93.96 152.21 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.52 -172.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.58 -45.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.2 -68.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.17 123.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.46 HG12 HG22 ' D' ' 24' ' ' VAL . 6.1 m -109.54 -178.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.65 -69.04 1.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.57 131.36 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 83.09 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 66.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.565 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 124.61 34.66 0.69 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -78.92 107.35 11.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -135.51 137.72 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' D' ' 17' ' ' LEU . 9.3 tt -142.05 86.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 132.38 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.64 HD11 ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -78.85 137.83 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.498 ' CE ' HD13 ' C' ' 34' ' ' LEU . 3.1 tmm? 63.89 41.16 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.651 ' O ' HG13 ' D' ' 36' ' ' VAL . 84.2 t -101.19 88.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.32 95.16 2.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.9 114.35 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.613 HG13 HG23 ' D' ' 39' ' ' VAL . 6.7 p -177.5 123.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.66 126.54 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.565 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.0 mp -128.93 130.11 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.26 -71.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.538 ' CG ' HD13 ' F' ' 17' ' ' LEU . 0.8 OUTLIER -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -113.82 92.97 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.563 HD11 HD22 ' E' ' 17' ' ' LEU . 6.4 mp -104.59 101.81 11.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.517 ' O ' HG23 ' E' ' 18' ' ' VAL . 3.0 p -160.48 143.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.671 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.21 152.56 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 64.28 -173.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.84 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -113.79 -68.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -179.21 123.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 6.2 m -109.6 -178.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.44 -69.06 1.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.86 131.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.04 82.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 124.68 33.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.671 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.36 107.8 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.567 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -136.58 138.02 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' E' ' 17' ' ' LEU . 9.3 tt -143.95 86.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 132.7 4.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.653 HD11 ' HE3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -79.19 137.86 37.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.06 41.28 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.538 ' O ' HG13 ' E' ' 36' ' ' VAL . 84.8 t -101.57 88.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 95.37 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.78 114.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.494 HG21 HG21 ' F' ' 31' ' ' ILE . 6.6 p -177.49 123.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.53 126.55 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.521 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.0 mp -128.87 130.21 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.775 0.321 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.51 103.32 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.3 113.1 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.2 mp -116.21 96.75 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.893 HG12 HG22 ' B' ' 18' ' ' VAL . 9.4 m -132.84 -171.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.44 -55.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.9 m-85 -112.09 137.49 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.25 33.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.84 -169.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.75 95.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 20' ' ' PHE . 13.1 p -107.44 148.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.75 -111.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 140.8 39.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.87 97.84 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 111.0 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.21 13.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.39 110.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.1 pp -133.47 131.8 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 18' ' ' VAL . 2.6 tt -150.22 88.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.17 127.18 2.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' D' ' 34' ' ' LEU . 3.0 mp -62.54 134.17 55.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.59 ' HB2' HD21 ' D' ' 34' ' ' LEU . 4.0 ttt 61.38 90.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -149.37 143.79 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.49 -127.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 174.91 30.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 39' ' ' VAL . 18.3 m -148.73 142.34 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.716 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.0 t -138.04 111.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 40' ' ' VAL . 21.9 mm -130.05 131.17 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.761 0.315 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.54 103.29 13.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.19 112.58 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.793 ' HB3' HD11 ' C' ' 32' ' ' ILE . 6.2 mp -116.75 96.54 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.911 HG12 HG22 ' C' ' 18' ' ' VAL . 8.7 m -132.93 -171.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.44 -55.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.516 ' CD1' HG21 ' B' ' 24' ' ' VAL . 34.2 m-85 -111.92 137.37 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.22 32.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.74 -169.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.8 p -107.43 148.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.96 -111.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 140.03 40.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.0 98.83 10.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 111.25 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 77.23 44.18 14.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.56 109.21 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.695 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.1 pp -133.34 131.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 17' ' ' LEU . 2.7 tt -149.64 88.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.82 127.24 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' D' ' 35' ' ' MET . 3.1 mp -62.69 134.18 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.603 ' HB2' HD21 ' E' ' 34' ' ' LEU . 4.0 ttt 61.13 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.2 143.84 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.84 -128.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 174.52 30.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.424 HG12 HG22 ' C' ' 39' ' ' VAL . 18.3 m -148.59 141.86 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.701 ' O ' HD13 ' B' ' 41' ' ' ILE . 26.0 t -137.71 111.99 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.701 HD13 ' O ' ' B' ' 40' ' ' VAL . 21.8 mm -129.57 131.19 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.721 0.296 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -102.63 103.25 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.27 112.49 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.472 HD11 HD22 ' B' ' 17' ' ' LEU . 6.3 mp -116.83 96.42 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.911 HG22 HG12 ' B' ' 18' ' ' VAL . 10.2 m -133.15 -171.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.5 OUTLIER -151.63 -54.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' C' ' 24' ' ' VAL . 30.1 m-85 -111.94 137.2 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.64 -169.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.565 HG23 ' CG1' ' B' ' 24' ' ' VAL . 13.1 p -107.36 148.51 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.97 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 140.19 40.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.04 98.83 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.24 111.0 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 76.97 42.97 18.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.47 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -97.75 108.61 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.668 HD11 ' HB ' ' B' ' 31' ' ' ILE . 2.0 pp -133.27 132.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.793 HD11 ' HB3' ' B' ' 17' ' ' LEU . 2.7 tt -149.94 88.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.66 127.06 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -62.76 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.503 ' HB2' HD21 ' F' ' 34' ' ' LEU . 4.0 ttt 61.19 90.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -149.19 144.1 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 -128.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 174.24 29.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.424 HG22 HG12 ' B' ' 39' ' ' VAL . 18.6 m -148.85 142.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.718 ' O ' HD13 ' C' ' 41' ' ' ILE . 25.9 t -137.81 111.87 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.718 HD13 ' O ' ' C' ' 40' ' ' VAL . 22.0 mm -130.03 131.22 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.449 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 21.2 mp0 -102.56 103.5 13.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.775 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.2 mp -116.43 96.53 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.826 HG12 HG22 ' E' ' 18' ' ' VAL . 9.8 m -132.9 -171.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.52 -54.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' D' ' 24' ' ' VAL . 32.2 m-85 -112.01 137.24 50.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 33.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -180.0 -169.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 94.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' D' ' 20' ' ' PHE . 13.3 p -107.54 148.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.72 -111.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.97 140.75 39.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.55 97.98 10.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 111.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.68 44.51 12.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.55 109.97 21.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.719 ' HB ' HD11 ' E' ' 31' ' ' ILE . 2.1 pp -133.45 131.67 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.694 HD13 ' O ' ' D' ' 18' ' ' VAL . 2.6 tt -150.07 88.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.93 127.21 2.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 35' ' ' MET . 3.0 mp -62.37 133.83 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.569 ' HB2' HD21 ' B' ' 34' ' ' LEU . 4.0 ttt 61.35 90.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.36 143.76 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.26 -128.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.82 175.0 30.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.421 HG12 HG22 ' E' ' 39' ' ' VAL . 18.2 m -148.57 142.28 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.727 ' O ' HD13 ' D' ' 41' ' ' ILE . 26.1 t -137.68 111.72 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.727 HD13 ' O ' ' D' ' 40' ' ' VAL . 21.9 mm -130.1 131.07 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.7 m80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.773 0.321 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.49 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -111.13 112.74 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.797 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.3 mp -116.48 96.77 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.844 HG12 HG22 ' F' ' 18' ' ' VAL . 9.0 m -132.64 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.3 -55.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' E' ' 24' ' ' VAL . 34.4 m-85 -111.97 137.4 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 32.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -169.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' F' ' 24' ' ' VAL . 12.8 p -107.46 148.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.99 -111.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 139.93 40.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.91 98.82 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.26 111.2 15.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' D' ' 41' ' ' ILE . . . 77.26 44.16 14.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.47 109.26 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' D' ' 31' ' ' ILE . 2.1 pp -133.32 131.82 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' D' ' 17' ' ' LEU . 2.7 tt -149.59 88.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.62 127.14 2.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' B' ' 35' ' ' MET . 3.0 mp -62.54 134.1 55.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.554 ' HB2' HD21 ' C' ' 34' ' ' LEU . 4.0 ttt 61.07 90.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -149.2 143.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.89 -128.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.02 174.62 30.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.421 HG22 HG12 ' D' ' 39' ' ' VAL . 18.5 m -148.5 141.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.715 ' O ' HD13 ' E' ' 41' ' ' ILE . 26.0 t -137.68 111.91 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.715 HD13 ' O ' ' E' ' 40' ' ' VAL . 21.9 mm -129.65 131.19 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.99 -46.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.57 103.41 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.22 112.6 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.446 HD11 HD22 ' E' ' 17' ' ' LEU . 6.3 mp -116.65 96.59 5.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.844 HG22 HG12 ' E' ' 18' ' ' VAL . 10.2 m -132.94 -172.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.472 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -151.61 -54.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' F' ' 24' ' ' VAL . 29.9 m-85 -111.93 137.12 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.56 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 -169.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.89 95.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.527 HG23 ' CG1' ' E' ' 24' ' ' VAL . 13.2 p -107.32 148.46 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.92 -111.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.17 98.86 10.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.28 110.95 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.423 ' HA3' HG21 ' E' ' 41' ' ' ILE . . . 77.04 42.99 18.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.472 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -97.86 108.73 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' E' ' 31' ' ' ILE . 2.0 pp -133.33 132.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.797 HD11 ' HB3' ' E' ' 17' ' ' LEU . 2.7 tt -149.99 88.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.7 127.11 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -62.77 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.31 90.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.0 t -149.23 143.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.8 -128.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.45 174.36 29.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.79 142.01 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.719 ' O ' HD13 ' F' ' 41' ' ' ILE . 26.0 t -137.79 111.86 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.719 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.2 mm -130.07 131.19 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.78 0.324 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.0 114.3 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 97.04 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.4 mp -102.81 105.82 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 18' ' ' VAL . 2.6 p -160.32 135.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -91.83 150.31 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 24' ' ' VAL . 8.9 m-85 66.75 120.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 -33.93 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -72.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.72 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.67 HG22 HG12 ' B' ' 24' ' ' VAL . 4.0 m -127.67 -178.69 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -75.46 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.02 127.72 49.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.08 91.05 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -108.13 88.21 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' N ' HG21 ' A' ' 41' ' ' ILE . . . 102.08 33.3 4.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -79.1 106.61 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 111.084 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.68 137.16 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.0 tt -144.83 86.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.48 -119.53 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.63 113.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 63.79 34.08 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.65 132.77 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.85 -103.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.12 164.15 22.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 HG13 ' B' ' 39' ' ' VAL . 5.5 p -177.47 121.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.01 130.41 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 29' ' ' GLY . 2.4 mp -134.03 127.46 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.1 114.49 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.39 96.57 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.574 HD22 HD11 ' C' ' 17' ' ' LEU . 9.3 mp -103.22 105.76 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -158.8 135.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.601 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -90.57 149.78 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 66.37 119.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -34.13 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.62 -71.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.68 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.67 HG12 HG22 ' A' ' 24' ' ' VAL . 3.9 m -127.91 -178.89 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -75.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.84 127.16 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.11 91.12 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.43 88.59 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.549 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 101.58 32.59 5.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.601 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.53 107.06 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -135.35 137.73 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 17' ' ' LEU . 8.6 tt -144.89 85.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.23 -120.22 2.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.81 113.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.435 ' CB ' HD21 ' E' ' 34' ' ' LEU . 3.9 ttt 64.09 33.63 11.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.37 133.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.69 -103.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.73 163.61 21.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.544 HG13 HG23 ' A' ' 39' ' ' VAL . 5.6 p -177.89 121.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.77 130.66 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.549 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.4 mp -133.69 127.41 52.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.762 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.713 0.292 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.02 114.69 26.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 95.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.574 HD11 HD22 ' B' ' 17' ' ' LEU . 9.4 mp -103.81 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.563 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.8 p -158.6 135.68 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -90.56 150.27 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.21 117.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.3 -34.82 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -70.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.4 137.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.651 HG12 HG22 ' B' ' 24' ' ' VAL . 3.5 m -127.87 -179.05 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.72 -75.36 1.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.11 127.09 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 90.4 7.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.85 89.03 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.517 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 101.09 31.67 5.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.87 107.8 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.5 pp -136.14 138.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.491 HG23 ' O ' ' C' ' 32' ' ' ILE . 7.9 tt -145.73 85.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.95 -120.51 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 112.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.504 ' HE1' ' HB3' ' F' ' 15' ' ' GLN . 3.9 ttt 64.04 34.26 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.66 133.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -104.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 163.55 21.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -177.94 121.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.74 130.65 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.517 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.4 mp -133.96 127.35 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.74 0.305 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.16 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 96.89 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.4 mp -102.92 105.44 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' E' ' 18' ' ' VAL . 2.7 p -160.49 135.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -91.44 150.67 21.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.405 ' CE1' HG21 ' D' ' 24' ' ' VAL . 9.0 m-85 66.96 120.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 -33.6 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.67 -72.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 179.92 137.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.638 HG22 HG12 ' E' ' 24' ' ' VAL . 4.0 m -127.78 -179.03 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.5 -74.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -122.93 127.43 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.68 91.13 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.48 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.556 ' N ' HG21 ' D' ' 41' ' ' ILE . . . 102.29 33.29 4.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -79.12 106.44 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.606 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.67 137.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.597 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.0 tt -145.11 86.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 -119.22 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.41 113.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.24 34.03 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.55 132.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.99 -103.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 164.18 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.568 HG23 HG13 ' E' ' 39' ' ' VAL . 5.4 p -177.22 121.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.98 130.33 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.556 HG21 ' N ' ' D' ' 29' ' ' GLY . 2.4 mp -133.98 127.5 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.801 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.733 0.302 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.27 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 96.61 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.579 HD22 HD11 ' F' ' 17' ' ' LEU . 9.3 mp -103.42 105.64 15.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.551 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -158.69 135.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.599 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -90.49 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.42 119.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 -33.93 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.8 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.638 HG12 HG22 ' D' ' 24' ' ' VAL . 3.7 m -127.98 -178.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.58 -75.49 1.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.82 127.26 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.02 91.13 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.7 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.563 ' N ' HG21 ' E' ' 41' ' ' ILE . . . 101.4 32.67 5.11 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.44 107.16 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.607 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.6 pp -135.45 137.62 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' D' ' 17' ' ' LEU . 8.6 tt -144.71 85.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 -119.97 2.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' B' ' 35' ' ' MET . 0.4 OUTLIER -178.68 113.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 63.85 34.17 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.44 133.45 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -103.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.57 21.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.568 HG13 HG23 ' D' ' 39' ' ' VAL . 5.6 p -177.84 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.82 130.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.563 HG21 ' N ' ' E' ' 29' ' ' GLY . 2.4 mp -133.82 127.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.758 0.314 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -148.39 -74.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.504 ' HB3' ' HE1' ' C' ' 35' ' ' MET . 3.7 mp0 -96.88 114.54 26.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 95.51 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.579 HD11 HD22 ' E' ' 17' ' ' LEU . 9.4 mp -103.99 106.35 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.551 ' O ' HG23 ' E' ' 18' ' ' VAL . 2.7 p -158.57 135.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.626 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -90.51 150.3 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 66.21 117.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.25 -34.78 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.38 -70.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.46 137.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.636 HG12 HG22 ' E' ' 24' ' ' VAL . 3.6 m -127.91 -179.06 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.7 -75.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.07 127.13 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.14 90.47 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.93 89.0 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.544 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 101.06 31.71 5.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.626 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.84 107.84 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.607 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.5 pp -136.18 138.39 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' F' ' 32' ' ' ILE . 7.8 tt -145.68 85.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 -120.56 2.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' C' ' 35' ' ' MET . 0.4 OUTLIER -179.2 113.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.07 34.23 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.64 133.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.44 -104.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.7 163.62 21.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.521 HG13 HG23 ' E' ' 39' ' ' VAL . 5.5 p -177.98 121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.76 130.71 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.544 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.4 mp -133.92 127.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.705 0.288 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.471 HE22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -107.6 98.24 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 115.71 23.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.83 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.6 mp -112.95 106.65 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.768 HG12 HG22 ' B' ' 18' ' ' VAL . 5.0 m -139.85 -178.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -132.31 -37.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -173.92 162.55 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.07 68.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.14 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.5 55.54 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.489 HG21 ' OD1' ' A' ' 27' ' ' ASN . 7.1 p -65.61 145.46 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -87.39 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -131.54 127.96 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.822 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG21 ' A' ' 24' ' ' VAL . 30.3 m-20 -95.44 83.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 58.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.88 34.15 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.47 114.19 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -140.43 135.68 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.706 HD13 ' O ' ' A' ' 18' ' ' VAL . 3.3 tt -148.64 83.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -134.1 143.55 15.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 123.89 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.725 ' HE3' HD13 ' D' ' 34' ' ' LEU . 2.9 tmm? 64.64 50.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 33' ' ' GLY . 86.4 t -91.25 143.47 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.34 -139.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.86 174.89 42.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.894 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -178.26 127.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.28 130.38 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.9 mt -132.42 136.18 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.482 HE22 HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -107.69 98.07 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 115.75 23.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.6 mp -112.91 106.79 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.768 HG22 HG12 ' A' ' 18' ' ' VAL . 6.8 m -140.16 -178.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.524 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -131.58 -38.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.34 163.07 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.01 68.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.42 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.47 56.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' B' ' 27' ' ' ASN . 7.3 p -65.33 145.65 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.43 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -81.08 -87.38 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -132.33 126.63 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' B' ' 24' ' ' VAL . 30.5 m-20 -95.81 84.63 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.16 59.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 126.7 32.9 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.83 113.95 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.598 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -139.83 136.32 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.83 HD11 ' HB3' ' A' ' 17' ' ' LEU . 3.7 tt -149.01 82.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.576 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -134.43 143.68 15.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -79.15 124.16 28.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.715 ' HE3' HD13 ' E' ' 34' ' ' LEU . 3.0 tmm? 64.14 50.54 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 33' ' ' GLY . 89.5 t -90.99 143.27 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.18 -139.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.03 174.72 43.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.894 HG13 HG23 ' A' ' 39' ' ' VAL . 4.2 p -178.31 127.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.3 t -121.74 130.72 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.9 mt -132.24 136.03 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.505 HE22 HD13 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -107.68 98.73 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.81 115.33 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.505 HD13 HE22 ' C' ' 15' ' ' GLN . 1.6 mp -113.66 105.98 13.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.763 HG22 HG12 ' B' ' 18' ' ' VAL . 11.0 m -140.28 -177.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.581 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -131.56 -38.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -173.75 163.45 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.29 67.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.96 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.58 56.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' C' ' 27' ' ' ASN . 7.2 p -64.86 146.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' B' ' 24' ' ' VAL . . . -80.95 -87.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.48 126.42 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' C' ' 24' ' ' VAL . 31.5 m-20 -96.35 85.01 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.81 59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.528 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 126.43 31.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.54 113.87 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -139.68 137.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' B' ' 17' ' ' LEU . 3.7 tt -150.04 82.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.54 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -135.0 142.81 14.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.647 HD13 ' HE3' ' E' ' 35' ' ' MET . 0.2 OUTLIER -79.96 124.23 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.751 ' HE3' HD13 ' F' ' 34' ' ' LEU . 3.0 tmm? 64.68 50.36 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.54 HG23 ' O ' ' C' ' 33' ' ' GLY . 89.0 t -91.79 143.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.22 -139.76 1.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.32 174.83 43.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.891 HG13 HG23 ' B' ' 39' ' ' VAL . 4.2 p -178.36 127.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.36 131.1 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.528 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.9 mt -132.12 136.17 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.46 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.711 0.291 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.489 HE22 HD13 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -107.67 98.12 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.82 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.821 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -112.99 106.9 15.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.727 HG12 HG22 ' E' ' 18' ' ' VAL . 5.3 m -139.64 -178.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.404 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.5 OUTLIER -132.29 -37.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -173.72 162.55 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 68.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.08 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.57 55.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.505 HG21 ' OD1' ' D' ' 27' ' ' ASN . 7.2 p -65.85 145.48 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.29 -87.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -131.51 127.64 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' D' ' 24' ' ' VAL . 30.6 m-20 -94.96 83.69 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.99 59.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 127.17 34.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.404 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.68 113.96 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -140.39 135.6 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.699 HD13 ' O ' ' D' ' 18' ' ' VAL . 3.3 tt -148.96 84.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.577 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -133.71 143.81 15.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.725 HD13 ' HE3' ' A' ' 35' ' ' MET . 0.2 OUTLIER -78.12 123.29 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.621 ' HB2' HD21 ' B' ' 34' ' ' LEU . 2.9 tmm? 64.44 50.89 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.577 HG23 ' O ' ' D' ' 33' ' ' GLY . 86.6 t -91.47 143.6 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 -139.72 1.86 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.0 175.08 42.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' E' ' 39' ' ' VAL . 4.3 p -178.03 127.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -122.2 130.42 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.9 mt -132.61 136.24 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.774 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.484 HE22 HD13 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -107.64 98.0 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.62 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -112.88 107.03 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.743 HG12 HG22 ' F' ' 18' ' ' VAL . 6.4 m -139.89 -178.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -131.63 -38.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.43 163.03 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.17 68.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.4 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.27 56.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.536 HG21 ' OD1' ' E' ' 27' ' ' ASN . 7.3 p -65.43 145.56 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' D' ' 24' ' ' VAL . . . -81.14 -87.4 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.32 126.68 33.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.536 ' OD1' HG21 ' E' ' 24' ' ' VAL . 29.5 m-20 -95.74 84.44 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.13 59.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 126.7 32.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.78 113.97 18.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.83 136.27 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.821 HD11 ' HB3' ' D' ' 17' ' ' LEU . 3.7 tt -148.9 83.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.57 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -134.0 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.715 HD13 ' HE3' ' B' ' 35' ' ' MET . 0.3 OUTLIER -78.95 124.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.955 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.647 ' HE3' HD13 ' C' ' 34' ' ' LEU . 2.9 tmm? 64.05 50.65 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.57 HG23 ' O ' ' E' ' 33' ' ' GLY . 89.5 t -91.04 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.21 -139.62 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 174.81 43.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' D' ' 39' ' ' VAL . 4.2 p -178.21 127.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.82 130.64 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.546 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.9 mt -132.34 136.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.425 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -76.91 -38.32 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.76 98.45 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' E' ' 17' ' ' LEU . 1.6 mp -113.89 106.14 14.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.743 HG22 HG12 ' E' ' 18' ' ' VAL . 10.9 m -140.04 -177.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.582 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -131.49 -38.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -173.85 163.37 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.38 67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.98 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.65 56.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.543 HG21 ' OD1' ' F' ' 27' ' ' ASN . 7.2 p -64.95 146.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.456 ' H ' HG13 ' E' ' 24' ' ' VAL . . . -80.9 -87.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -132.5 126.41 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.543 ' OD1' HG21 ' F' ' 24' ' ' VAL . 31.2 m-20 -96.15 84.82 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.72 59.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.512 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 126.42 31.72 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.537 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.56 113.76 18.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.572 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -139.62 137.37 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' E' ' 17' ' ' LEU . 3.7 tt -149.91 82.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.525 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -134.76 143.2 14.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.751 HD13 ' HE3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -79.92 124.09 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.94 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.25 50.62 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' F' ' 33' ' ' GLY . 90.2 t -91.66 143.97 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -139.8 1.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.17 174.89 43.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -178.3 127.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.64 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.512 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.9 mt -132.29 136.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.425 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.751 ' OE1' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -99.09 104.28 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.18 117.23 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD13 ' OE1' ' A' ' 15' ' ' GLN . 1.5 mp -115.05 106.29 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.587 HG23 HG13 ' B' ' 18' ' ' VAL . 8.5 p -138.02 160.3 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 18' ' ' VAL . 1.9 t80 -119.46 -50.19 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.5 m-85 -106.78 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.54 146.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 51.42 72.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.798 HG21 ' CD1' ' A' ' 20' ' ' PHE . 8.3 p -117.77 138.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.46 -122.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -102.36 140.22 36.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -100.26 82.61 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -104.98 84.78 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.641 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 104.77 31.26 4.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 113.45 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.627 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -139.37 135.93 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.711 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -141.8 80.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -135.79 137.52 9.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 128.7 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.594 ' CE ' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 64.58 46.9 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' GLY . 99.4 t -94.44 144.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.61 -158.46 15.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.49 166.53 2.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.34 141.83 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' A' ' 41' ' ' ILE . 38.9 t -133.32 109.36 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 40' ' ' VAL . 19.0 mm -134.14 123.23 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.762 0.315 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.764 ' OE1' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -99.12 104.11 16.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.76 116.92 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.764 HD13 ' OE1' ' B' ' 15' ' ' GLN . 1.5 mp -115.46 105.57 12.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.632 HG23 HG13 ' C' ' 18' ' ' VAL . 8.2 p -138.48 160.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.8 t80 -119.79 -50.78 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' B' ' 24' ' ' VAL . 30.3 m-85 -106.26 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.84 146.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 51.11 73.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' B' ' 20' ' ' PHE . 8.7 p -117.34 137.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.8 -121.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -102.79 139.28 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -100.29 83.44 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.47 85.08 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.605 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 104.25 30.55 5.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.57 112.66 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.627 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -139.56 135.96 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.729 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.9 tt -142.8 80.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.519 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -135.42 137.67 9.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.68 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.616 ' CE ' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 64.57 46.81 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 33' ' ' GLY . 99.8 t -94.36 144.39 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.32 -158.67 14.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.51 166.19 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.62 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.663 ' O ' HD13 ' B' ' 41' ' ' ILE . 38.9 t -133.02 109.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.663 HD13 ' O ' ' B' ' 40' ' ' VAL . 18.3 mm -133.67 123.5 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.756 0.312 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.768 ' OE1' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -99.28 104.6 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 117.02 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.768 HD13 ' OE1' ' C' ' 15' ' ' GLN . 1.4 mp -115.92 104.81 11.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.632 HG13 HG23 ' B' ' 18' ' ' VAL . 8.4 p -139.99 160.33 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.073 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.729 ' HE1' HG22 ' B' ' 32' ' ' ILE . 1.9 t80 -120.59 -50.12 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' C' ' 24' ' ' VAL . 27.1 m-85 -105.28 -173.21 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.53 -45.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.84 145.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.92 73.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.666 HG21 ' CD1' ' C' ' 20' ' ' PHE . 8.7 p -117.15 137.69 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.73 -121.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -102.93 139.03 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.83 82.78 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.89 85.53 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 104.07 29.3 5.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -79.63 112.86 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.611 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -140.23 135.94 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' B' ' 17' ' ' LEU . 13.9 tt -144.13 79.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.517 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -136.17 137.91 9.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.439 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.6 ' CE ' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 64.96 47.07 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.517 HG23 ' O ' ' C' ' 33' ' ' GLY . 99.3 t -94.97 144.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -158.74 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 166.39 2.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.3 141.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.646 ' O ' HD13 ' C' ' 41' ' ' ILE . 39.2 t -133.44 109.56 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.646 HD13 ' O ' ' C' ' 40' ' ' VAL . 20.0 mm -134.01 123.36 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.756 ' OE1' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -99.16 104.48 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 117.4 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.756 HD13 ' OE1' ' D' ' 15' ' ' GLN . 1.4 mp -114.81 106.67 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.555 HG23 HG13 ' E' ' 18' ' ' VAL . 8.6 p -137.94 160.37 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.415 ' N ' HG22 ' D' ' 18' ' ' VAL . 2.0 t80 -118.93 -49.95 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CD1' HG21 ' D' ' 24' ' ' VAL . 31.8 m-85 -106.58 -172.24 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.5 -45.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.67 147.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 51.52 71.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CD1' ' D' ' 20' ' ' PHE . 8.2 p -118.24 137.87 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -121.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -102.48 140.18 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.67 82.58 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -105.03 84.94 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.653 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 104.87 31.26 4.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 113.78 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.623 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -139.43 136.0 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.0 tt -141.59 80.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.516 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -135.42 137.46 9.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.438 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -80.2 128.53 33.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 110.929 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.43 47.13 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 33' ' ' GLY . 96.6 t -94.61 144.25 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.56 -158.32 14.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.42 166.49 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.94 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.656 ' O ' HD13 ' D' ' 41' ' ' ILE . 38.9 t -133.08 109.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.656 HD13 ' O ' ' D' ' 40' ' ' VAL . 19.2 mm -134.02 123.25 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.705 0.288 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.767 ' OE1' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -99.05 104.27 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 116.74 25.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' E' ' 15' ' ' GLN . 1.5 mp -115.73 105.89 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.653 HG23 HG13 ' F' ' 18' ' ' VAL . 8.1 p -138.16 160.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.8 t80 -119.44 -51.09 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' E' ' 24' ' ' VAL . 31.0 m-85 -106.35 -172.55 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.1 -44.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.81 146.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 51.08 72.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' E' ' 20' ' ' PHE . 8.8 p -117.35 137.75 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -121.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -102.85 139.4 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.11 83.35 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.48 84.94 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.618 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 104.32 30.56 4.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.57 113.08 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.57 136.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.9 tt -142.5 80.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.507 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -135.36 137.57 9.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.616 HD13 ' CE ' ' B' ' 35' ' ' MET . 0.3 OUTLIER -80.59 128.64 33.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.2 47.04 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' E' ' 33' ' ' GLY . 99.2 t -94.38 144.57 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.24 -158.61 13.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.61 166.38 2.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' E' ' 41' ' ' ILE . 39.0 t -132.98 109.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' E' ' 40' ' ' VAL . 18.6 mm -133.86 123.45 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -54.42 -37.92 65.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.757 ' OE1' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -99.0 104.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 116.43 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.757 HD13 ' OE1' ' F' ' 15' ' ' GLN . 1.4 mp -116.26 104.78 11.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.653 HG13 HG23 ' E' ' 18' ' ' VAL . 8.3 p -139.71 160.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' E' ' 32' ' ' ILE . 1.9 t80 -120.37 -50.36 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.672 ' CD1' HG21 ' F' ' 24' ' ' VAL . 27.6 m-85 -105.42 -173.25 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.62 -45.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.85 145.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.88 73.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' F' ' 20' ' ' PHE . 8.8 p -117.19 137.8 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.68 -121.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -103.01 139.16 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.71 82.75 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.9 85.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 104.17 29.34 5.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -79.75 113.0 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -140.12 136.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.564 HG13 HG23 ' E' ' 32' ' ' ILE . 13.9 tt -143.98 79.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.512 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -135.93 138.05 9.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.6 HD13 ' CE ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -80.54 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.51 47.08 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.512 HG23 ' O ' ' F' ' 33' ' ' GLY . 99.5 t -94.66 144.41 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.57 -158.74 15.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.79 166.43 2.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.32 141.74 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.65 ' O ' HD13 ' F' ' 41' ' ' ILE . 39.0 t -133.25 109.4 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.65 HD13 ' O ' ' F' ' 40' ' ' VAL . 19.8 mm -134.0 123.31 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.719 0.295 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 103.83 12.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 32' ' ' ILE . 8.9 mp -104.38 96.56 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.891 HG12 HG22 ' B' ' 18' ' ' VAL . 5.8 m -139.41 175.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -138.3 -41.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 24' ' ' VAL . 12.4 m-85 -129.8 141.51 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.0 33.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.12 53.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.39 118.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 20' ' ' PHE . 9.9 p -140.31 143.76 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.86 -115.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.83 136.51 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.15 89.12 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.17 69.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.552 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 114.23 53.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -99.1 114.53 27.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.648 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -138.23 134.79 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.548 HG22 ' HE1' ' B' ' 19' ' ' PHE . 11.4 tt -141.38 84.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.09 155.13 23.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' D' ' 34' ' ' LEU . 0.2 OUTLIER -102.42 126.36 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.588 ' HB2' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 66.45 36.95 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.15 148.02 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.63 -147.76 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.24 166.01 51.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 31' ' ' ILE . 97.0 t -150.22 141.7 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.22 123.58 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.7 mt -130.42 136.53 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.02 110.84 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.22 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' B' ' 34' ' ' LEU . 9.0 mp -105.14 96.37 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.891 HG22 HG12 ' A' ' 18' ' ' VAL . 5.9 m -139.6 175.41 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -138.61 -41.78 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.707 ' CD1' HG21 ' B' ' 24' ' ' VAL . 13.5 m-85 -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.76 33.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.91 54.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.12 119.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -140.15 143.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.58 -114.7 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.31 135.45 46.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -100.66 89.47 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.76 70.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 113.52 53.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -101.0 113.73 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.648 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -137.94 134.78 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.564 HG22 ' HE1' ' C' ' 19' ' ' PHE . 11.7 tt -141.73 83.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.8 23.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' E' ' 35' ' ' MET . 0.2 OUTLIER -102.41 126.39 49.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.594 ' HB2' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 66.56 36.97 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 148.28 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.44 -147.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.42 165.95 50.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.561 HG11 HG21 ' B' ' 31' ' ' ILE . 99.1 t -150.31 141.75 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.04 123.75 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.7 mt -130.4 136.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.536 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 m170 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.81 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.75 103.37 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.606 HD21 ' CD2' ' C' ' 34' ' ' LEU . 9.0 mp -105.12 96.27 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.873 HG22 HG12 ' B' ' 18' ' ' VAL . 6.5 m -139.59 175.02 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -138.76 -41.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' C' ' 24' ' ' VAL . 10.2 m-85 -129.68 140.91 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.17 32.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.45 54.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.07 119.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.676 HG21 ' CD1' ' C' ' 20' ' ' PHE . 9.9 p -139.18 142.97 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.188 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -113.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.44 134.44 48.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.9 0.381 . . . . 0.0 110.817 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -101.18 88.62 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.74 70.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 113.62 52.64 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -102.15 113.57 26.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.613 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -138.42 135.45 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.533 HG23 ' O ' ' C' ' 32' ' ' ILE . 11.9 tt -142.76 83.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.61 154.62 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.606 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -103.03 126.96 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.475 ' HB2' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 66.99 36.87 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.94 148.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 -147.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.19 50.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.543 HG11 HG21 ' C' ' 31' ' ' ILE . 99.1 t -150.26 141.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.72 123.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.543 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.7 mt -130.59 136.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.536 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.749 0.309 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.0 110.56 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 104.03 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' E' ' 32' ' ' ILE . 8.9 mp -104.4 96.63 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.858 HG12 HG22 ' E' ' 18' ' ' VAL . 5.5 m -139.18 175.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.475 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -138.27 -41.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.712 ' CD1' HG21 ' D' ' 24' ' ' VAL . 11.9 m-85 -129.67 141.71 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.06 34.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.97 53.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.18 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.712 HG21 ' CD1' ' D' ' 20' ' ' PHE . 9.9 p -140.64 143.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 -114.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.95 136.37 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.83 89.08 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.15 70.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 114.33 53.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -99.52 114.47 27.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -137.97 134.65 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.553 HG22 ' HE1' ' E' ' 19' ' ' PHE . 11.4 tt -141.32 84.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.409 ' HA3' HG21 ' D' ' 36' ' ' VAL . . . -138.85 155.21 23.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -102.28 126.05 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.6 ' HB2' HD13 ' A' ' 34' ' ' LEU . 3.3 tmm? 66.64 37.15 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.409 HG21 ' HA3' ' D' ' 33' ' ' GLY . 41.7 t -88.48 148.03 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.8 -147.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.51 166.0 50.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.532 HG11 HG21 ' D' ' 31' ' ' ILE . 99.5 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.14 123.71 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.7 mt -130.34 136.62 58.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -101.97 110.95 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.28 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD11 ' F' ' 32' ' ' ILE . 8.9 mp -105.18 96.56 6.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.872 HG12 HG22 ' F' ' 18' ' ' VAL . 5.9 m -139.59 175.45 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -138.57 -41.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.702 ' CD1' HG21 ' E' ' 24' ' ' VAL . 13.4 m-85 -130.18 141.44 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.68 33.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.78 54.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 119.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.702 HG21 ' CD1' ' E' ' 20' ' ' PHE . 9.9 p -140.24 143.82 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.38 -114.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.32 135.82 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.67 89.48 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.83 70.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 113.5 53.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.587 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -100.94 113.82 27.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.708 0.29 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -137.96 134.7 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.581 HG22 ' HE1' ' F' ' 19' ' ' PHE . 11.6 tt -141.58 83.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' E' ' 36' ' ' VAL . . . -138.94 154.87 23.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' B' ' 35' ' ' MET . 0.2 OUTLIER -102.53 126.35 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.55 ' HB2' HD13 ' B' ' 34' ' ' LEU . 3.3 tmm? 66.51 37.07 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' E' ' 33' ' ' GLY . 41.6 t -88.36 148.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.6 -147.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.05 50.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.528 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.55 HG11 HG21 ' E' ' 31' ' ' ILE . 99.9 t -150.23 141.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.98 123.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.556 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.7 mt -130.51 136.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.528 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -142.49 -56.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.11 110.76 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.82 103.32 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.607 HD21 ' CD2' ' F' ' 34' ' ' LEU . 9.0 mp -105.06 96.36 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.872 HG22 HG12 ' E' ' 18' ' ' VAL . 6.7 m -139.53 175.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -138.65 -42.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' F' ' 24' ' ' VAL . 10.3 m-85 -129.7 140.96 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.09 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.47 54.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.05 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' F' ' 20' ' ' PHE . 10.0 p -139.37 143.08 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.68 -113.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.38 134.67 48.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.2 88.71 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.79 70.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.541 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 113.57 52.53 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -102.12 113.51 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.629 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -138.43 135.46 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.531 HG23 ' O ' ' F' ' 32' ' ' ILE . 11.8 tt -142.53 83.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.47 154.62 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.607 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.97 126.82 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.428 ' HB2' HD13 ' C' ' 34' ' ' LEU . 3.3 tmm? 66.97 36.96 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.92 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.25 -147.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 166.11 50.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.535 HG11 HG21 ' F' ' 31' ' ' ILE . 99.4 t -150.18 142.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.89 123.72 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.541 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.7 mt -130.53 136.74 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.528 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.24 101.77 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.04 108.87 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.8 mp -109.19 105.83 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -140.68 176.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.21 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 24' ' ' VAL . 27.7 m-85 -123.43 -166.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.81 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -142.07 -165.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.56 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 20' ' ' PHE . 10.5 p -106.86 -34.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.95 -102.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -131.24 131.55 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' B' ' 24' ' ' VAL . 2.4 m-20 -95.19 81.86 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.34 69.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.587 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 128.62 35.69 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.23 115.32 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.0 pp -134.74 131.35 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.482 HG22 ' HE1' ' B' ' 19' ' ' PHE . 5.4 tt -142.48 85.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 36' ' ' VAL . . . -130.95 131.89 6.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -95.06 33.03 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.407 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER 178.87 35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 33' ' ' GLY . 98.8 t -97.77 143.98 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.59 62.84 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.15 142.97 5.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.699 HG21 HG21 ' A' ' 31' ' ' ILE . 6.1 p -177.39 131.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' O ' HD13 ' A' ' 41' ' ' ILE . 22.0 t -132.29 124.97 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.587 HG21 ' HA2' ' A' ' 29' ' ' GLY . 23.1 mm -127.72 129.58 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.76 101.9 12.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.72 108.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.7 mp -109.4 105.41 14.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.84 HG23 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -140.35 176.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.4 t80 -133.23 -40.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' B' ' 24' ' ' VAL . 27.9 m-85 -123.44 -167.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.0 -164.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.52 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -106.76 -34.84 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.33 -103.43 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.98 130.08 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.21 83.27 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 69.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 128.41 35.55 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -93.94 113.9 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.725 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.0 pp -134.97 130.97 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 17' ' ' LEU . 5.7 tt -142.27 85.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' B' ' 36' ' ' VAL . . . -129.85 132.35 7.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -95.13 32.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.55 35.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.427 HG23 ' HA3' ' B' ' 33' ' ' GLY . 98.6 t -97.55 144.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.66 62.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.88 143.14 5.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.693 HG21 HG21 ' B' ' 31' ' ' ILE . 6.3 p -177.43 132.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.443 ' O ' HD13 ' B' ' 41' ' ' ILE . 22.0 t -131.9 125.22 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.575 HG21 ' HA2' ' B' ' 29' ' ' GLY . 22.8 mm -127.37 129.75 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.739 0.304 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 101.56 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.85 108.7 16.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' C' ' 34' ' ' LEU . 1.6 mp -109.46 105.17 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.806 HG23 HG13 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -141.14 176.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.516 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 1.3 t80 -133.1 -39.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.72 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.67 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.38 -164.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.63 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.24 -34.74 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.96 -103.36 0.89 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.83 129.74 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.09 83.1 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 69.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.67 33.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -95.22 112.98 24.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.664 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.9 pp -134.76 132.03 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' B' ' 17' ' ' LEU . 5.8 tt -142.25 85.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' C' ' 36' ' ' VAL . . . -130.09 131.57 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -95.64 32.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.94 35.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.402 HG23 ' HA3' ' C' ' 33' ' ' GLY . 95.4 t -97.94 144.33 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.62 63.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.02 142.8 5.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.633 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -177.79 131.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.446 ' O ' HD13 ' C' ' 41' ' ' ILE . 21.9 t -132.24 125.11 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.446 HD13 ' O ' ' C' ' 40' ' ' VAL . 23.1 mm -127.78 129.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.096 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.761 0.315 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.41 101.88 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -116.71 109.02 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -109.28 105.99 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.779 HG13 HG23 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.67 176.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.24 -39.64 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' D' ' 24' ' ' VAL . 26.7 m-85 -123.21 -167.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.79 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -141.75 -165.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 100.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' D' ' 20' ' ' PHE . 10.6 p -106.93 -34.4 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.42 -102.5 0.83 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.14 131.49 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 81.87 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.76 69.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.6 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 128.74 35.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 115.75 28.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.719 HG21 HG21 ' D' ' 39' ' ' VAL . 2.0 pp -134.48 131.44 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.444 HG22 ' HE1' ' E' ' 19' ' ' PHE . 5.2 tt -142.16 86.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' D' ' 36' ' ' VAL . . . -130.43 132.47 6.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.46 ' CD2' HD21 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -94.97 33.02 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.38 35.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.414 HG23 ' HA3' ' D' ' 33' ' ' GLY . 99.6 t -98.24 143.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.87 62.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.19 143.32 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.719 HG21 HG21 ' D' ' 31' ' ' ILE . 5.9 p -177.02 132.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.434 ' O ' HD13 ' D' ' 41' ' ' ILE . 21.9 t -132.01 124.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.6 HG21 ' HA2' ' D' ' 29' ' ' GLY . 23.6 mm -127.88 129.47 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.837 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 80.2 m80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.713 0.292 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.35 101.67 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.86 108.28 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -109.68 105.68 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.779 HG23 HG13 ' D' ' 18' ' ' VAL . 0.0 OUTLIER -140.17 176.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.4 t80 -133.18 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.437 ' CD1' HG21 ' E' ' 24' ' ' VAL . 26.8 m-85 -123.63 -167.34 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.16 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -142.96 -164.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.38 99.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' E' ' 20' ' ' PHE . 10.1 p -106.83 -34.79 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -103.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.06 130.24 42.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.25 83.22 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.607 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 128.39 35.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -93.79 114.16 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' E' ' 39' ' ' VAL . 2.0 pp -134.93 130.94 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.728 HD11 ' HB3' ' D' ' 17' ' ' LEU . 5.7 tt -141.94 86.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' E' ' 36' ' ' VAL . . . -129.75 132.36 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -95.08 32.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.47 35.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.416 HG23 ' HA3' ' E' ' 33' ' ' GLY . 98.6 t -97.63 144.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.71 62.8 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 142.82 5.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' E' ' 31' ' ' ILE . 6.2 p -177.68 131.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.435 ' O ' HD13 ' E' ' 41' ' ' ILE . 22.0 t -132.11 125.16 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.607 HG21 ' HA2' ' E' ' 29' ' ' GLY . 22.8 mm -127.52 129.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.36 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -142.83 -51.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.52 101.03 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.43 108.16 15.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' F' ' 34' ' ' LEU . 1.7 mp -109.96 105.02 14.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.747 HG23 HG13 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.94 176.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.515 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 1.3 t80 -133.05 -39.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -123.7 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.71 -33.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.39 -164.6 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.4 -34.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 -103.34 0.88 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -130.93 129.69 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.05 83.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 69.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.418 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 128.54 34.24 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -95.16 112.98 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.672 HG21 HG21 ' F' ' 39' ' ' VAL . 2.0 pp -134.83 132.13 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' E' ' 17' ' ' LEU . 5.7 tt -141.93 85.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.02 131.67 6.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -95.51 33.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.959 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.0 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.92 144.21 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.43 62.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.97 142.89 5.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.672 HG21 HG21 ' F' ' 31' ' ' ILE . 6.3 p -177.55 131.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.439 ' O ' HD13 ' F' ' 41' ' ' ILE . 21.9 t -132.37 124.87 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.439 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.9 mm -127.7 129.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG3' ' HE3' ' D' ' 35' ' ' MET . 3.1 mp0 -113.26 114.69 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -108.58 90.91 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.614 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.3 mp -100.37 96.89 7.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 19' ' ' PHE . 4.2 t -142.02 159.4 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -127.26 147.29 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 67.51 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.37 27.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.6 -167.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.08 87.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' B' ' 24' ' ' VAL . 1.4 p -102.55 152.9 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.63 -117.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -104.41 147.77 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.15 81.45 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.83 71.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.686 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 119.44 33.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.01 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.662 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -128.13 133.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.4 tt -144.81 86.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.18 132.51 3.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' HG3' ' D' ' 35' ' ' MET . 0.1 OUTLIER -78.65 148.04 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.459 ' HE3' ' HG3' ' E' ' 15' ' ' GLN . 64.8 mmm 63.07 35.57 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.544 HG13 ' O ' ' B' ' 36' ' ' VAL . 97.4 t -103.35 130.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.37 118.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.8 111.44 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' B' ' 39' ' ' VAL . 6.1 p -177.22 133.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.39 117.35 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.686 HG21 ' CA ' ' A' ' 29' ' ' GLY . 25.2 mm -114.99 124.81 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.497 ' HG3' ' HE3' ' E' ' 35' ' ' MET . 3.2 mp0 -114.17 114.27 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -109.4 89.0 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.722 HD22 HD11 ' C' ' 17' ' ' LEU . 9.2 mp -102.23 96.84 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' N ' ' B' ' 19' ' ' PHE . 4.1 t -141.11 159.55 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -127.25 146.54 50.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 67.14 142.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.83 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.84 -167.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.53 87.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.497 HG23 ' CG1' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -102.41 152.03 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.7 -117.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -105.14 146.09 29.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -93.22 82.35 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 71.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.666 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 118.74 33.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.89 100.36 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.8 pp -128.63 133.65 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 17' ' ' LEU . 6.5 tt -144.52 86.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.04 132.29 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -78.66 148.24 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.531 ' HE3' ' HG3' ' F' ' 15' ' ' GLN . 65.4 mmm 62.92 35.19 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 36' ' ' VAL . 88.6 t -103.7 130.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.44 119.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.438 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 111.18 3.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.902 HG13 HG23 ' A' ' 39' ' ' VAL . 6.1 p -177.49 132.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.21 117.53 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.666 HG21 ' HA2' ' B' ' 29' ' ' GLY . 24.6 mm -114.85 124.52 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.768 0.318 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' HE3' ' F' ' 35' ' ' MET . 3.1 mp0 -112.87 114.85 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.9 87.47 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.722 HD11 HD22 ' B' ' 17' ' ' LEU . 9.2 mp -103.93 98.13 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.411 HG12 ' N ' ' C' ' 19' ' ' PHE . 4.2 t -140.65 159.32 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.16 145.73 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 66.52 141.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.96 26.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -167.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.39 87.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' B' ' 24' ' ' VAL . 1.1 p -101.92 152.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -117.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 p -105.96 145.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.12 81.3 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.18 71.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 118.05 31.82 1.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.75 100.52 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.632 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -129.57 134.2 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' C' ' 32' ' ' ILE . 6.7 tt -144.87 85.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.12 131.83 3.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' F' ' 35' ' ' MET . 0.1 OUTLIER -78.88 147.84 32.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 mmm 63.31 35.31 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 36' ' ' VAL . 87.2 t -103.86 130.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 118.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 111.16 3.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.792 HG13 HG23 ' B' ' 39' ' ' VAL . 6.2 p -177.55 133.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.19 117.31 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' C' ' 29' ' ' GLY . 24.9 mm -115.12 124.59 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.8 p80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -113.02 114.61 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -108.41 91.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.3 mp -99.87 96.45 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' D' ' 19' ' ' PHE . 4.1 t -142.12 159.48 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.413 ' N ' HG12 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 68.06 143.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.29 27.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.02 -168.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.35 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' E' ' 24' ' ' VAL . 1.4 p -102.78 152.45 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -117.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.2 p -104.36 147.77 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -92.52 81.29 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.28 72.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.695 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 119.57 33.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.29 101.18 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -127.63 133.73 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' D' ' 32' ' ' ILE . 6.3 tt -144.44 86.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.34 132.18 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 148.09 33.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.484 ' HE3' ' HG3' ' A' ' 15' ' ' GLN . 65.9 mmm 63.27 35.36 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.594 HG13 ' O ' ' E' ' 36' ' ' VAL . 95.3 t -103.68 130.21 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.3 118.5 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 111.55 3.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' E' ' 39' ' ' VAL . 6.1 p -177.07 133.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.32 117.41 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.695 HG21 ' HA2' ' D' ' 29' ' ' GLY . 25.4 mm -115.04 124.64 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.772 0.32 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.459 ' HG3' ' HE3' ' A' ' 35' ' ' MET . 3.2 mp0 -113.15 114.25 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -109.16 89.55 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.715 HD22 HD11 ' F' ' 17' ' ' LEU . 9.2 mp -101.68 96.81 7.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' E' ' 19' ' ' PHE . 4.1 t -141.24 159.66 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -127.09 146.91 50.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 67.27 142.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.84 26.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.05 -167.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.91 87.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.464 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.0 OUTLIER -102.66 152.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.47 -117.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -105.11 146.63 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.04 82.17 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.12 71.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.687 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 118.63 33.17 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.97 100.5 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.8 pp -128.37 133.39 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' D' ' 17' ' ' LEU . 6.8 tt -144.07 86.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.09 132.42 3.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -78.59 147.92 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.497 ' HE3' ' HG3' ' B' ' 15' ' ' GLN . 67.0 mmm 63.1 35.35 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.594 ' O ' HG13 ' D' ' 36' ' ' VAL . 91.8 t -103.44 130.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.35 118.91 1.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 111.16 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' D' ' 39' ' ' VAL . 6.1 p -177.55 133.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.33 117.44 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' E' ' 29' ' ' GLY . 24.8 mm -114.91 124.73 71.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.95 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.531 ' HG3' ' HE3' ' B' ' 35' ' ' MET . 3.1 mp0 -112.57 114.86 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.72 87.86 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.715 HD11 HD22 ' E' ' 17' ' ' LEU . 9.1 mp -103.54 97.74 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.42 HG12 ' N ' ' F' ' 19' ' ' PHE . 4.1 t -140.87 159.49 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.543 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -127.14 146.06 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 66.7 141.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.05 26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.6 -167.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -66.69 87.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.453 HG23 ' CG1' ' E' ' 24' ' ' VAL . 1.2 p -102.1 152.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.74 -117.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -105.84 145.95 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -92.87 81.29 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.48 71.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 117.94 32.09 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.76 100.43 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.651 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -129.5 134.32 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' E' ' 17' ' ' LEU . 6.6 tt -144.71 86.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.24 131.97 3.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -78.87 147.88 32.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.556 ' HE3' ' HG3' ' C' ' 15' ' ' GLN . 64.8 mmm 63.39 35.19 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.477 ' O ' HG13 ' E' ' 36' ' ' VAL . 87.4 t -103.53 130.39 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.31 119.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.0 111.11 3.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' E' ' 39' ' ' VAL . 6.2 p -177.52 133.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.27 117.26 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.622 HG21 ' HA2' ' F' ' 29' ' ' GLY . 25.4 mm -115.1 124.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.809 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -105.67 101.74 11.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.83 119.19 35.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -118.46 97.93 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.865 HG12 HG22 ' B' ' 18' ' ' VAL . 3.2 m -139.0 -171.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -148.33 -41.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 24' ' ' VAL . 28.8 m-85 -120.04 141.06 50.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.97 60.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.5 81.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 20' ' ' PHE . 7.2 p -96.96 147.0 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -93.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.69 130.54 56.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 86.39 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.8 62.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.685 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 126.26 47.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.629 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -101.17 107.8 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.605 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -133.91 132.26 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.658 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -153.75 38.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -99.43 109.38 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' B' ' 34' ' ' LEU . 2.7 pt? -52.73 135.1 35.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.419 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 65.65 84.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 33' ' ' GLY . 48.7 t -146.81 140.78 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.34 -112.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.96 134.33 8.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.64 149.9 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.15 99.21 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HA2' ' A' ' 29' ' ' GLY . 22.0 mm -98.95 125.97 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB3' ' C ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.748 0.309 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -105.58 101.3 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.36 118.73 34.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.0 OUTLIER -119.36 97.34 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.865 HG22 HG12 ' A' ' 18' ' ' VAL . 3.2 m -139.58 -171.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.658 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -148.41 -42.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.803 ' CE1' HG21 ' B' ' 24' ' ' VAL . 30.6 m-85 -120.14 141.04 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.92 -75.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.42 82.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.803 HG21 ' CE1' ' B' ' 20' ' ' PHE . 7.6 p -96.72 147.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -92.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.26 129.88 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.04 86.8 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.49 63.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 126.74 47.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.657 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -103.15 109.17 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.8 pp -133.71 132.76 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.698 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.4 tt -154.79 38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.42 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -99.83 110.71 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.591 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 pt? -53.82 135.59 41.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.33 84.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 33' ' ' GLY . 51.7 t -146.86 140.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.99 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 133.99 8.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.68 149.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.55 99.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' B' ' 29' ' ' GLY . 21.9 mm -98.85 125.84 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.726 0.298 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.455 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -105.59 102.25 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.09 118.46 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.458 HD11 HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -120.28 96.0 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.859 HG22 HG12 ' B' ' 18' ' ' VAL . 3.7 m -140.12 -171.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.698 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -147.96 -42.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' C' ' 24' ' ' VAL . 26.4 m-85 -120.5 141.11 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.66 59.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.31 82.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.761 HG21 ' CE1' ' C' ' 20' ' ' PHE . 7.5 p -96.39 147.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.7 -92.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.38 129.78 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.54 86.25 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 63.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 127.47 45.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.666 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -103.81 109.6 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -132.54 133.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.649 HG13 HG23 ' B' ' 32' ' ' ILE . 14.0 tt -155.8 38.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.416 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -99.78 111.57 4.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.586 ' HB3' HD21 ' B' ' 34' ' ' LEU . 2.6 pt? -54.12 134.81 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.53 85.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 33' ' ' GLY . 53.5 t -146.51 139.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -111.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.52 133.97 8.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.63 149.88 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.6 99.1 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' C' ' 29' ' ' GLY . 22.5 mm -99.16 125.77 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.549 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.729 0.299 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -105.6 101.49 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.78 119.79 37.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -118.21 98.47 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.831 HG12 HG22 ' E' ' 18' ' ' VAL . 3.2 m -138.91 -171.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.614 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.7 OUTLIER -148.27 -41.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' D' ' 24' ' ' VAL . 29.3 m-85 -119.75 141.07 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.13 60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -74.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.47 81.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' D' ' 20' ' ' PHE . 7.1 p -97.06 146.78 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.06 -92.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.72 130.32 56.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.82 86.44 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.03 62.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.7 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 126.44 47.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -101.0 107.65 19.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.625 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -133.75 132.54 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.654 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.1 tt -154.19 38.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.433 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -99.38 109.67 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' E' ' 34' ' ' LEU . 2.7 pt? -52.78 135.91 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 33' ' ' GLY . 49.6 t -147.2 140.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.79 -111.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.72 134.31 8.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.42 149.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.29 99.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.7 HG21 ' HA2' ' D' ' 29' ' ' GLY . 22.2 mm -99.04 126.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' C ' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.794 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.451 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -105.54 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.59 118.8 34.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.0 OUTLIER -119.26 97.86 5.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.843 HG12 HG22 ' F' ' 18' ' ' VAL . 3.2 m -139.38 -171.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.654 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -148.46 -42.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' E' ' 24' ' ' VAL . 30.3 m-85 -120.26 140.92 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.36 81.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' E' ' 20' ' ' PHE . 7.7 p -96.79 147.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.6 -93.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.25 129.88 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.84 86.8 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.4 63.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.646 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 126.66 47.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.653 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -103.03 109.12 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.8 pp -133.66 132.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.731 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.5 tt -154.67 38.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.431 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -99.5 111.1 4.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' F' ' 34' ' ' LEU . 2.7 pt? -53.8 135.43 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.417 ' CG ' HD11 ' B' ' 34' ' ' LEU . 0.5 OUTLIER 64.96 84.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' E' ' 33' ' ' GLY . 52.0 t -146.82 140.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.93 -111.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 134.01 8.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.6 149.78 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.45 99.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.646 HG21 ' HA2' ' E' ' 29' ' ' GLY . 21.7 mm -98.91 125.89 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.534 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -56.17 -36.15 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.457 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -105.64 101.98 11.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.23 118.51 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.47 HD11 HD22 ' E' ' 17' ' ' LEU . 1.0 OUTLIER -120.14 96.55 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.843 HG22 HG12 ' E' ' 18' ' ' VAL . 3.7 m -139.82 -171.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.731 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -148.02 -42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' F' ' 24' ' ' VAL . 26.9 m-85 -120.67 140.85 51.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.7 59.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.23 82.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' F' ' 20' ' ' PHE . 7.4 p -96.52 147.1 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.62 -92.83 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.48 129.87 56.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.44 86.11 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.87 63.46 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 127.54 45.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -103.87 109.63 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -132.62 133.27 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.663 HG13 HG23 ' E' ' 32' ' ' ILE . 14.2 tt -155.8 38.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -99.79 111.94 4.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.612 ' HB3' HD21 ' E' ' 34' ' ' LEU . 2.6 pt? -54.22 134.8 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.2 85.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' F' ' 33' ' ' GLY . 53.3 t -146.4 139.84 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.39 -111.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 133.88 8.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.58 149.85 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.52 99.14 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' F' ' 29' ' ' GLY . 22.7 mm -99.23 125.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.534 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.311 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -123.55 112.12 17.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 121.11 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -125.18 106.72 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.92 144.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.78 159.31 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 60.54 175.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.95 -36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.51 35.75 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.21 150.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.489 HG22 HG12 ' B' ' 24' ' ' VAL . 3.0 m -141.82 179.58 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.63 -71.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.56 131.75 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.77 83.65 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.39 66.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.492 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.23 35.63 0.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.22 101.17 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -130.43 135.42 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' B' ' 32' ' ' ILE . 19.7 tt -152.73 42.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.83 -120.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HG3' ' D' ' 35' ' ' MET . 2.4 tp -175.26 111.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.537 ' HE3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 64.17 35.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' B' ' 36' ' ' VAL . 21.2 t -61.63 150.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.84 12.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 HG13 ' B' ' 39' ' ' VAL . 5.0 p -177.93 123.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.27 129.86 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.492 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.5 mt -130.31 133.94 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -123.72 111.46 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 120.45 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.571 HD22 HD11 ' C' ' 17' ' ' LEU . 0.7 OUTLIER -125.54 106.27 9.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 18' ' ' VAL . 3.6 p -160.42 143.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.68 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -95.09 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.13 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.6 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.18 35.39 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.61 150.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 24' ' ' VAL . 3.0 m -141.92 -179.95 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 -72.32 1.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 131.21 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.56 83.62 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.25 67.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.463 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 125.86 34.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.68 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.12 102.46 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.599 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -130.01 135.79 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 17' ' ' LEU . 19.2 tt -152.37 41.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.87 -120.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.785 HD22 ' HG3' ' E' ' 35' ' ' MET . 2.3 tp -175.42 111.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.684 ' HG3' HD22 ' D' ' 34' ' ' LEU . 0.6 OUTLIER 63.94 35.15 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.498 ' HB ' HG13 ' A' ' 36' ' ' VAL . 21.1 t -61.19 150.93 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 78.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 157.83 11.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.895 HG13 HG23 ' A' ' 39' ' ' VAL . 4.9 p -177.91 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.11 130.06 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.463 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.5 mt -130.0 133.89 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.429 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -123.95 111.6 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 119.28 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.571 HD11 HD22 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -127.98 105.82 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.457 ' O ' HG23 ' B' ' 18' ' ' VAL . 4.3 p -161.41 143.84 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -95.06 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.98 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.96 35.69 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.83 150.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 24' ' ' VAL . 2.9 m -141.84 179.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 -72.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.84 131.18 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.71 82.83 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.0 68.12 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.477 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 125.48 33.14 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.7 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.42 103.51 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.297 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.575 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -130.22 136.28 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.691 HG13 HG23 ' B' ' 32' ' ' ILE . 19.0 tt -152.95 40.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.07 -121.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' F' ' 35' ' ' MET . 2.4 tp -175.84 110.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.702 ' HG3' HD22 ' E' ' 34' ' ' LEU . 0.4 OUTLIER 63.91 34.83 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' B' ' 36' ' ' VAL . 20.7 t -61.07 151.58 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.95 79.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.25 158.02 12.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 39' ' ' VAL . 5.0 p -177.99 123.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.63 130.42 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.477 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.5 mt -130.34 133.77 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.716 0.293 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -123.49 112.47 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 121.26 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.705 ' HB3' HD11 ' E' ' 32' ' ' ILE . 0.7 OUTLIER -124.78 106.54 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.61 144.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -95.04 159.61 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 61.17 175.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.51 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -125.31 35.22 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 65.15 150.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.461 HG22 HG12 ' E' ' 24' ' ' VAL . 3.0 m -141.9 179.12 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.69 -71.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.2 131.6 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.31 83.83 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.59 67.19 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.497 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 126.28 35.76 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.56 100.8 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.325 . . . . 0.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -130.35 135.53 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' E' ' 32' ' ' ILE . 19.8 tt -153.2 43.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.59 -119.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' B' ' 35' ' ' MET . 2.4 tp -174.73 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.601 ' HG3' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.77 35.37 11.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' E' ' 36' ' ' VAL . 21.2 t -61.21 150.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 158.06 12.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.948 HG23 HG13 ' E' ' 39' ' ' VAL . 4.8 p -177.77 123.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.34 129.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.497 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.5 mt -130.47 134.13 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.724 0.297 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.417 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -123.6 111.56 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.599 HD11 HD22 ' D' ' 17' ' ' LEU . 0.7 OUTLIER -125.59 106.42 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' F' ' 18' ' ' VAL . 3.8 p -160.35 143.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.679 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -95.03 158.53 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.14 174.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.53 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.95 35.35 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.42 150.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.461 HG12 HG22 ' D' ' 24' ' ' VAL . 3.0 m -141.87 -179.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 -72.19 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.68 131.32 29.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.52 83.57 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.28 67.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.479 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 125.81 34.49 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.11 102.3 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -130.04 135.71 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' D' ' 17' ' ' LEU . 19.3 tt -152.37 41.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.64 -120.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.702 HD22 ' HG3' ' C' ' 35' ' ' MET . 2.5 tp -175.15 111.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.785 ' HG3' HD22 ' B' ' 34' ' ' LEU . 0.4 OUTLIER 63.81 35.29 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' D' ' 36' ' ' VAL . 21.0 t -61.25 150.84 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.11 79.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.84 157.97 11.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.948 HG13 HG23 ' D' ' 39' ' ' VAL . 4.9 p -177.96 123.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.07 129.97 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.479 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.5 mt -130.19 133.88 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.804 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.36 -75.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -124.02 111.71 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 119.03 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.597 HD11 HD22 ' E' ' 17' ' ' LEU . 0.7 OUTLIER -127.91 105.59 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.455 ' O ' HG23 ' E' ' 18' ' ' VAL . 4.3 p -161.36 143.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.697 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.87 158.51 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 60.03 173.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.49 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.84 35.68 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.78 150.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 2.9 m -141.85 179.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.26 -72.25 1.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.81 131.24 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.8 82.91 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.09 68.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.478 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 125.61 33.08 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.697 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.42 103.4 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.618 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -130.25 136.53 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.698 HG13 HG23 ' E' ' 32' ' ' ILE . 18.9 tt -153.09 40.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.98 -121.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.61 110.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.64 ' HG3' HD22 ' C' ' 34' ' ' LEU . 0.5 OUTLIER 63.81 34.79 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.501 ' HB ' HG13 ' E' ' 36' ' ' VAL . 20.6 t -60.95 151.4 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.86 79.17 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.21 158.13 13.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.874 HG13 HG23 ' E' ' 39' ' ' VAL . 5.1 p -177.92 123.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.164 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.69 130.32 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.478 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.5 mt -130.27 133.93 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.784 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.833 0.349 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 102.18 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -103.8 99.69 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -102.67 105.74 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.17 98.97 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.58 90.37 3.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -83.93 78.62 9.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t 58.09 64.19 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.99 61.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -77.15 77.18 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.67 -39.31 37.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.2 92.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -118.98 159.84 23.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.06 -74.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.705 ' CD ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -126.18 115.61 20.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE2' HG11 ' A' ' 18' ' ' VAL . 12.9 tttt -113.55 96.05 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.3 mp -102.31 102.15 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 16' ' ' LYS . 2.7 p -160.98 143.52 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.22 153.21 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 65.04 -171.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.77 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.33 -69.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -178.85 123.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 24' ' ' VAL . 6.5 m -108.85 -178.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.87 1.38 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -140.92 131.68 25.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.25 83.03 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 65.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 125.77 35.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.478 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.71 107.56 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.55 138.1 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.627 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.6 tt -141.57 87.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.74 132.84 4.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD23 HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -78.86 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.64 ' HE3' HD11 ' E' ' 34' ' ' LEU . 3.1 tmm? 63.43 41.53 7.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG13 ' O ' ' B' ' 36' ' ' VAL . 87.7 t -100.71 88.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.53 94.68 2.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.69 115.01 1.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.596 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -177.04 123.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.71 126.56 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.0 mp -128.87 130.15 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.821 0.344 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.42 102.21 12.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.74 99.64 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -102.67 105.69 16.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 99.02 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.58 90.36 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.45 49.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.08 -170.92 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.91 35.84 2.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -149.61 164.95 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -137.14 36.2 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.9 m -111.35 141.89 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -161.43 43.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 -75.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.658 ' CD ' HD13 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -126.3 115.32 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.492 ' HE2' HG11 ' B' ' 18' ' ' VAL . 12.9 tttt -113.54 95.44 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.658 HD13 ' CD ' ' B' ' 15' ' ' GLN . 6.5 mp -103.22 101.81 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.521 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -160.1 142.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -94.14 152.22 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 64.58 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.66 -45.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -113.33 -68.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.23 123.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 24' ' ' VAL . 6.5 m -109.51 -178.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.09 1.38 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.6 131.28 24.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.91 83.06 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 124.96 34.48 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.07 107.33 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -135.64 137.71 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 17' ' ' LEU . 9.4 tt -142.44 86.67 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.4 132.93 4.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.5 HD13 ' CE ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -78.84 137.78 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.653 ' HE3' HD11 ' F' ' 34' ' ' LEU . 3.1 tmm? 63.72 41.36 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 36' ' ' VAL . 85.2 t -101.18 88.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.3 95.35 2.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.83 114.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.596 HG13 HG23 ' A' ' 39' ' ' VAL . 6.6 p -177.47 123.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 0.0 111.14 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -127.53 126.38 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.0 mp -128.89 130.17 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 102.18 12.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.72 99.57 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -102.62 105.71 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 98.97 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.63 90.35 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.84 73.81 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.05 -50.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.57 -147.95 19.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -154.51 85.3 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.95 164.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.6 t 60.54 100.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.39 171.54 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 72.37 -69.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.548 ' CG ' HD13 ' C' ' 17' ' ' LEU . 0.8 OUTLIER -126.28 114.92 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.68 93.94 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' C' ' 15' ' ' GLN . 6.6 mp -104.42 101.91 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.9 p -160.7 143.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.678 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -94.4 152.66 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 64.25 -173.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.78 -46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.88 -68.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.18 123.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.438 HG12 HG22 ' B' ' 24' ' ' VAL . 6.0 m -109.57 -178.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.59 -69.07 1.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -141.85 131.27 23.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.809 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.08 82.6 3.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.55 66.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.503 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 124.59 33.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.38 107.81 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -136.48 137.89 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.629 HD11 ' HB3' ' B' ' 17' ' ' LEU . 9.4 tt -144.06 85.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.18 132.53 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.515 HD23 HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -79.14 138.09 37.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.455 ' HB2' HD22 ' F' ' 34' ' ' LEU . 3.1 tmm? 64.61 40.97 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 36' ' ' VAL . 85.6 t -101.65 88.48 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.62 95.03 2.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.76 114.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.495 HG21 HG21 ' C' ' 31' ' ' ILE . 6.6 p -177.52 123.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.56 126.66 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.503 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.0 mp -128.73 130.17 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.38 102.23 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -103.82 99.73 9.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -102.65 105.7 16.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.04 99.04 8.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.61 90.32 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.49 -36.49 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.6 t -163.2 36.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.784 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.28 65.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -71.45 158.59 36.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -122.5 -35.31 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.25 87.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.612 ' HD2' HG11 ' E' ' 12' ' ' VAL . 17.4 m80 -109.12 -38.71 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.89 -82.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.686 ' CD ' HD13 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -127.32 114.99 18.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.494 ' HE2' HG11 ' D' ' 18' ' ' VAL . 12.9 tttt -113.54 95.82 5.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.781 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.5 mp -102.36 102.08 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' D' ' 16' ' ' LYS . 2.7 p -161.22 143.19 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.5 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -94.68 153.58 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 65.29 -171.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.64 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -112.43 -69.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.54 123.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.46 HG22 HG12 ' E' ' 24' ' ' VAL . 6.4 m -109.19 -178.42 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.57 -68.38 1.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -140.79 131.59 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.74 83.16 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.29 65.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.519 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 125.93 35.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.69 107.38 11.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.589 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.64 138.23 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.625 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.5 tt -141.38 87.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.414 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -149.14 132.56 4.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -78.58 137.37 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.5 ' CE ' HD13 ' B' ' 34' ' ' LEU . 3.1 tmm? 63.75 41.8 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.651 HG13 ' O ' ' E' ' 36' ' ' VAL . 86.7 t -100.94 88.51 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 94.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.48 115.07 1.83 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.613 HG23 HG13 ' E' ' 39' ' ' VAL . 6.5 p -176.84 123.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.71 126.46 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.519 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.0 mp -128.9 130.1 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.768 0.318 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.4 102.23 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.84 99.63 9.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -102.61 105.68 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.07 99.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.64 90.36 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -68.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.38 165.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.99 -105.73 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -52.32 131.71 33.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.587 ' OE2' HG12 ' E' ' 12' ' ' VAL . 0.0 OUTLIER -177.74 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.612 HG11 ' HD2' ' D' ' 13' ' ' HIS . 12.6 p -175.81 150.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.07 88.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 71.35 -70.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.605 ' CD ' HD13 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -125.69 114.82 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.488 ' HE2' HG11 ' E' ' 18' ' ' VAL . 13.1 tttt -113.94 95.64 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.6 mp -103.53 102.07 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -159.93 143.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.631 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -93.96 152.21 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.52 -172.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.58 -45.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -113.2 -68.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -179.17 123.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.46 HG12 HG22 ' D' ' 24' ' ' VAL . 6.1 m -109.54 -178.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.65 -69.04 1.38 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.57 131.36 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 83.09 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 66.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.565 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 124.61 34.66 0.69 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.631 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -78.92 107.35 11.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.589 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -135.51 137.72 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' D' ' 17' ' ' LEU . 9.3 tt -142.05 86.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 132.38 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.64 HD11 ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -78.85 137.83 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.498 ' CE ' HD13 ' C' ' 34' ' ' LEU . 3.1 tmm? 63.89 41.16 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.651 ' O ' HG13 ' D' ' 36' ' ' VAL . 84.2 t -101.19 88.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.32 95.16 2.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.9 114.35 1.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.613 HG13 HG23 ' D' ' 39' ' ' VAL . 6.7 p -177.5 123.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.66 126.54 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.565 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.0 mp -128.93 130.11 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 102.15 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -103.73 99.57 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -102.62 105.62 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.01 98.94 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -124.6 90.34 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.07 -36.14 49.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 28.7 p -147.14 176.4 9.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.9 45.14 3.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -131.99 76.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -178.73 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.53 144.52 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -177.58 166.65 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.26 -71.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.538 ' CG ' HD13 ' F' ' 17' ' ' LEU . 0.8 OUTLIER -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -113.82 92.97 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.563 HD11 HD22 ' E' ' 17' ' ' LEU . 6.4 mp -104.59 101.81 11.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.517 ' O ' HG23 ' E' ' 18' ' ' VAL . 3.0 p -160.48 143.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.671 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.21 152.56 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 64.28 -173.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.84 -46.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -113.79 -68.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -179.21 123.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 6.2 m -109.6 -178.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.44 -69.06 1.38 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.0 p -141.86 131.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.04 82.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.73 66.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 124.68 33.51 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.671 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.36 107.8 12.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.567 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -136.58 138.02 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' E' ' 17' ' ' LEU . 9.3 tt -143.95 86.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 132.7 4.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.653 HD11 ' HE3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -79.19 137.86 37.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.1 tmm? 64.06 41.28 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.538 ' O ' HG13 ' E' ' 36' ' ' VAL . 84.8 t -101.57 88.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.47 95.37 2.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.78 114.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.494 HG21 HG21 ' F' ' 31' ' ' ILE . 6.6 p -177.49 123.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.53 126.55 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.521 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.0 mp -128.87 130.21 68.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 100.59 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.61 102.86 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.22 101.77 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.34 102.41 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.87 83.21 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -96.15 36.29 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m 52.95 -170.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.91 -132.48 2.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -153.61 -46.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.57 157.81 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.2 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.79 -170.49 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 m80 63.2 163.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.51 103.32 13.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.3 113.1 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' B' ' 32' ' ' ILE . 6.2 mp -116.21 96.75 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.893 HG12 HG22 ' B' ' 18' ' ' VAL . 9.4 m -132.84 -171.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.44 -55.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.9 m-85 -112.09 137.49 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.25 33.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.84 -169.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.75 95.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 20' ' ' PHE . 13.1 p -107.44 148.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.75 -111.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 140.8 39.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.87 97.84 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 111.0 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.7 44.21 13.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.39 110.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.1 pp -133.47 131.8 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 18' ' ' VAL . 2.6 tt -150.22 88.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.17 127.18 2.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' D' ' 34' ' ' LEU . 3.0 mp -62.54 134.17 55.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.59 ' HB2' HD21 ' D' ' 34' ' ' LEU . 4.0 ttt 61.38 90.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -149.37 143.79 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.49 -127.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.7 174.91 30.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 39' ' ' VAL . 18.3 m -148.73 142.34 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.716 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.0 t -138.04 111.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 40' ' ' VAL . 21.9 mm -130.05 131.17 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.28 100.58 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 102.9 12.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.3 101.73 10.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.29 102.33 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.78 83.27 4.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 63.39 54.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 73.3 p -74.45 75.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.79 145.96 4.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 57.52 -177.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.345 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -135.78 145.26 46.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.47 141.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -126.27 179.44 5.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.95 -71.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.54 103.29 13.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.19 112.58 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.793 ' HB3' HD11 ' C' ' 32' ' ' ILE . 6.2 mp -116.75 96.54 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.911 HG12 HG22 ' C' ' 18' ' ' VAL . 8.7 m -132.93 -171.78 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.44 -55.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.516 ' CD1' HG21 ' B' ' 24' ' ' VAL . 34.2 m-85 -111.92 137.37 50.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.22 32.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.74 -169.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.08 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.8 p -107.43 148.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.96 -111.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 140.03 40.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.0 98.83 10.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 111.25 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.417 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 77.23 44.18 14.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.56 109.21 21.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.695 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.1 pp -133.34 131.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 17' ' ' LEU . 2.7 tt -149.64 88.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.82 127.24 2.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' D' ' 35' ' ' MET . 3.1 mp -62.69 134.18 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.603 ' HB2' HD21 ' E' ' 34' ' ' LEU . 4.0 ttt 61.13 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.2 143.84 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.84 -128.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 174.52 30.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.424 HG12 HG22 ' C' ' 39' ' ' VAL . 18.3 m -148.59 141.86 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.701 ' O ' HD13 ' B' ' 41' ' ' ILE . 26.0 t -137.71 111.99 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.701 HD13 ' O ' ' B' ' 40' ' ' VAL . 21.8 mm -129.57 131.19 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 100.62 10.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.57 102.89 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.25 101.7 10.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.29 102.38 11.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.82 83.26 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -108.2 38.08 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -70.23 -39.97 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.22 86.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -60.11 -63.01 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.907 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.53 82.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 12' ' ' VAL . 10.7 m -54.68 114.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -119.21 -72.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 71.41 -70.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -102.63 103.25 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.27 112.49 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.472 HD11 HD22 ' B' ' 17' ' ' LEU . 6.3 mp -116.83 96.42 5.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.911 HG22 HG12 ' B' ' 18' ' ' VAL . 10.2 m -133.15 -171.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.5 OUTLIER -151.63 -54.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' C' ' 24' ' ' VAL . 30.1 m-85 -111.94 137.2 50.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.64 -169.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.565 HG23 ' CG1' ' B' ' 24' ' ' VAL . 13.1 p -107.36 148.51 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.97 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 140.19 40.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.04 98.83 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.24 111.0 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 76.97 42.97 18.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.47 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -97.75 108.61 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.668 HD11 ' HB ' ' B' ' 31' ' ' ILE . 2.0 pp -133.27 132.96 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.793 HD11 ' HB3' ' B' ' 17' ' ' LEU . 2.7 tt -149.94 88.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.66 127.06 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -62.76 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.503 ' HB2' HD21 ' F' ' 34' ' ' LEU . 4.0 ttt 61.19 90.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -149.19 144.1 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 -128.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 174.24 29.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.424 HG22 HG12 ' B' ' 39' ' ' VAL . 18.6 m -148.85 142.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.718 ' O ' HD13 ' C' ' 41' ' ' ILE . 25.9 t -137.81 111.87 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.718 HD13 ' O ' ' C' ' 40' ' ' VAL . 22.0 mm -130.03 131.22 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.21 100.64 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.62 102.86 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.26 101.73 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.3 102.41 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.83 83.3 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -118.36 36.3 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.15 99.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.12 -63.55 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -167.2 48.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.875 0.369 . . . . 0.0 110.943 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -151.24 117.23 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.409 HG23 ' NE2' ' D' ' 14' ' ' HIS . 7.7 p -172.13 134.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -143.51 -68.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.409 ' NE2' HG23 ' D' ' 12' ' ' VAL . 5.5 m-70 62.42 171.33 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.449 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 21.2 mp0 -102.56 103.5 13.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.775 ' HB3' HD11 ' E' ' 32' ' ' ILE . 6.2 mp -116.43 96.53 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.826 HG12 HG22 ' E' ' 18' ' ' VAL . 9.8 m -132.9 -171.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -151.52 -54.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' D' ' 24' ' ' VAL . 32.2 m-85 -112.01 137.24 50.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 33.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -180.0 -169.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.87 94.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' D' ' 20' ' ' PHE . 13.3 p -107.54 148.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.72 -111.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.97 140.75 39.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -94.55 97.98 10.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 111.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.68 44.51 12.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.55 109.97 21.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.719 ' HB ' HD11 ' E' ' 31' ' ' ILE . 2.1 pp -133.45 131.67 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.694 HD13 ' O ' ' D' ' 18' ' ' VAL . 2.6 tt -150.07 88.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.93 127.21 2.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 35' ' ' MET . 3.0 mp -62.37 133.83 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.569 ' HB2' HD21 ' B' ' 34' ' ' LEU . 4.0 ttt 61.35 90.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.36 143.76 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.26 -128.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.82 175.0 30.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.421 HG12 HG22 ' E' ' 39' ' ' VAL . 18.2 m -148.57 142.28 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.727 ' O ' HD13 ' D' ' 41' ' ' ILE . 26.1 t -137.68 111.72 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.727 HD13 ' O ' ' D' ' 40' ' ' VAL . 21.9 mm -130.1 131.07 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.21 100.63 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.62 102.89 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.27 101.78 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.39 102.37 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.83 83.26 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -107.0 36.35 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.03 -71.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.06 -129.99 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.64 ' O ' HG23 ' E' ' 12' ' ' VAL . 27.4 m-85 -139.91 36.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 53.7 40.98 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' E' ' 10' ' ' TYR . 56.7 t -133.05 130.82 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -62.13 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -139.92 137.34 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.56 103.49 13.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -111.13 112.74 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.797 ' HB3' HD11 ' F' ' 32' ' ' ILE . 6.3 mp -116.48 96.77 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.844 HG12 HG22 ' F' ' 18' ' ' VAL . 9.0 m -132.64 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -151.3 -55.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' E' ' 24' ' ' VAL . 34.4 m-85 -111.97 137.4 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.27 32.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -169.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.8 95.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.527 ' CG1' HG23 ' F' ' 24' ' ' VAL . 12.8 p -107.46 148.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.99 -111.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 139.93 40.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -94.91 98.82 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.26 111.2 15.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.408 ' HA3' HG21 ' D' ' 41' ' ' ILE . . . 77.26 44.16 14.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.47 109.26 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' D' ' 31' ' ' ILE . 2.1 pp -133.32 131.82 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' D' ' 17' ' ' LEU . 2.7 tt -149.59 88.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.62 127.14 2.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' B' ' 35' ' ' MET . 3.0 mp -62.54 134.1 55.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.554 ' HB2' HD21 ' C' ' 34' ' ' LEU . 4.0 ttt 61.07 90.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -149.2 143.87 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.89 -128.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.02 174.62 30.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.421 HG22 HG12 ' D' ' 39' ' ' VAL . 18.5 m -148.5 141.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.715 ' O ' HD13 ' E' ' 41' ' ' ILE . 26.0 t -137.68 111.91 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.715 HD13 ' O ' ' E' ' 40' ' ' VAL . 21.9 mm -129.65 131.19 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.792 0.33 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.23 100.61 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.57 102.92 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -108.34 101.69 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.32 102.42 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.82 83.25 3.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.44 106.32 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.6 p -160.36 124.49 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.26 136.55 34.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.15 157.56 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 55.79 -173.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -97.52 122.33 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -126.27 37.51 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.99 -46.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -102.57 103.41 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -111.22 112.6 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.446 HD11 HD22 ' E' ' 17' ' ' LEU . 6.3 mp -116.65 96.59 5.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.844 HG22 HG12 ' E' ' 18' ' ' VAL . 10.2 m -132.94 -172.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.472 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -151.61 -54.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' F' ' 24' ' ' VAL . 29.9 m-85 -111.93 137.12 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.49 32.56 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 -169.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.89 95.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.527 HG23 ' CG1' ' E' ' 24' ' ' VAL . 13.2 p -107.32 148.46 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.92 -111.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -95.17 98.86 10.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.28 110.95 15.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.423 ' HA3' HG21 ' E' ' 41' ' ' ILE . . . 77.04 42.99 18.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.472 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -97.86 108.73 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.674 HD11 ' HB ' ' E' ' 31' ' ' ILE . 2.0 pp -133.33 132.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.797 HD11 ' HB3' ' E' ' 17' ' ' LEU . 2.7 tt -149.99 88.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.7 127.11 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -62.77 134.07 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 61.31 90.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.0 t -149.23 143.97 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.8 -128.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.551 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.45 174.36 29.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.79 142.01 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.719 ' O ' HD13 ' F' ' 41' ' ' ILE . 26.0 t -137.79 111.86 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.719 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.2 mm -130.07 131.19 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.12 100.57 10.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.76 99.88 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.44 102.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 103.73 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.35 74.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.37 36.58 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -102.47 124.73 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.4 37.44 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.14 -47.63 4.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.979 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -110.04 -170.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t 62.15 99.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -91.4 -177.36 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -83.62 -72.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.0 114.3 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 97.04 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.4 mp -102.81 105.82 16.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 18' ' ' VAL . 2.6 p -160.32 135.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -91.83 150.31 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE1' HG21 ' A' ' 24' ' ' VAL . 8.9 m-85 66.75 120.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 -33.93 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -72.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.72 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.67 HG22 HG12 ' B' ' 24' ' ' VAL . 4.0 m -127.67 -178.69 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -75.46 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.02 127.72 49.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.08 91.05 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -108.13 88.21 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' N ' HG21 ' A' ' 41' ' ' ILE . . . 102.08 33.3 4.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.529 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -79.1 106.61 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 111.084 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.585 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -135.68 137.16 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' HE1' ' B' ' 19' ' ' PHE . 8.0 tt -144.83 86.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.48 -119.53 2.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.63 113.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 63.79 34.08 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.65 132.77 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.85 -103.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.12 164.15 22.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 HG13 ' B' ' 39' ' ' VAL . 5.5 p -177.47 121.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -125.01 130.41 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 29' ' ' GLY . 2.4 mp -134.03 127.46 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.13 100.5 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.78 99.88 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.37 102.34 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 103.73 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -134.29 74.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.19 -53.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 15.5 m -140.29 85.63 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.16 -51.91 53.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -97.58 142.4 29.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.22 152.27 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.69 149.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 58.7 -176.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -155.21 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.1 114.49 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.39 96.57 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.574 HD22 HD11 ' C' ' 17' ' ' LEU . 9.3 mp -103.22 105.76 16.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.563 HG23 ' O ' ' C' ' 18' ' ' VAL . 2.5 p -158.8 135.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.601 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -90.57 149.78 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 66.37 119.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 -34.13 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.62 -71.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.68 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.67 HG12 HG22 ' A' ' 24' ' ' VAL . 3.9 m -127.91 -178.89 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -75.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.84 127.16 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.11 91.12 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.43 88.59 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.549 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 101.58 32.59 5.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.601 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.53 107.06 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -135.35 137.73 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' A' ' 17' ' ' LEU . 8.6 tt -144.89 85.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.23 -120.22 2.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.81 113.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.435 ' CB ' HD21 ' E' ' 34' ' ' LEU . 3.9 ttt 64.09 33.63 11.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.37 133.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.69 -103.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.73 163.61 21.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.469 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.544 HG13 HG23 ' A' ' 39' ' ' VAL . 5.6 p -177.89 121.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.77 130.66 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.549 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.4 mp -133.69 127.41 52.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.762 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.12 100.49 10.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 99.87 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -104.36 102.35 12.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.11 103.7 13.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -134.31 74.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t 52.68 -170.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.73 94.14 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.05 148.6 50.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 60.99 39.18 16.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.94 142.26 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -86.47 170.98 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -126.03 -37.91 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.02 114.69 26.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 95.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.574 HD11 HD22 ' B' ' 17' ' ' LEU . 9.4 mp -103.81 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.563 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.8 p -158.6 135.68 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -90.56 150.27 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.21 117.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.3 -34.82 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -70.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.4 137.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.651 HG12 HG22 ' B' ' 24' ' ' VAL . 3.5 m -127.87 -179.05 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.72 -75.36 1.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.11 127.09 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 90.4 7.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.85 89.03 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.517 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 101.09 31.67 5.56 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.87 107.8 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.5 pp -136.14 138.25 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.202 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.491 HG23 ' O ' ' C' ' 32' ' ' ILE . 7.9 tt -145.73 85.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.95 -120.51 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.2 112.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.504 ' HE1' ' HB3' ' F' ' 15' ' ' GLN . 3.9 ttt 64.04 34.26 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.66 133.86 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -104.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 163.55 21.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -177.94 121.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.74 130.65 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.517 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.4 mp -133.96 127.35 51.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.324 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.14 100.55 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.77 99.88 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.39 102.38 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.14 103.75 13.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.3 74.64 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -77.15 65.38 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.16 -170.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.9 35.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -52.05 143.47 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -177.27 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 19.1 m -137.96 -173.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.051 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 63.33 41.13 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.64 146.72 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.16 25.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 96.89 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.4 mp -102.92 105.44 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' E' ' 18' ' ' VAL . 2.7 p -160.49 135.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -91.44 150.67 21.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.405 ' CE1' HG21 ' D' ' 24' ' ' VAL . 9.0 m-85 66.96 120.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 -33.6 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.67 -72.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 179.92 137.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.638 HG22 HG12 ' E' ' 24' ' ' VAL . 4.0 m -127.78 -179.03 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.5 -74.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -122.93 127.43 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.68 91.13 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.48 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.556 ' N ' HG21 ' D' ' 41' ' ' ILE . . . 102.29 33.29 4.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -79.12 106.44 11.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.606 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -135.67 137.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.597 HG22 ' HE1' ' E' ' 19' ' ' PHE . 8.0 tt -145.11 86.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.21 -119.22 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.41 113.29 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.24 34.03 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.55 132.69 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.99 -103.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.06 164.18 22.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.568 HG23 HG13 ' E' ' 39' ' ' VAL . 5.4 p -177.22 121.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.98 130.33 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.556 HG21 ' N ' ' D' ' 29' ' ' GLY . 2.4 mp -133.98 127.5 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.801 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.1 100.51 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 99.86 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.35 102.36 12.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.17 103.72 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.35 74.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -39.81 60.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -158.84 179.93 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 61.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.95 100.25 5.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.934 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -101.88 48.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' E' ' 13' ' ' HIS . 19.8 t -144.82 136.96 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.729 ' CD2' HG12 ' E' ' 12' ' ' VAL . 7.7 m170 63.11 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -166.41 78.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -96.96 114.27 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 96.61 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.579 HD22 HD11 ' F' ' 17' ' ' LEU . 9.3 mp -103.42 105.64 15.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.551 HG23 ' O ' ' F' ' 18' ' ' VAL . 2.5 p -158.69 135.36 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.599 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -90.49 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 66.42 119.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 -33.93 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -71.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.8 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.638 HG12 HG22 ' D' ' 24' ' ' VAL . 3.7 m -127.98 -178.93 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.58 -75.49 1.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -123.82 127.26 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.02 91.13 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.51 88.7 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.563 ' N ' HG21 ' E' ' 41' ' ' ILE . . . 101.4 32.67 5.11 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.44 107.16 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.607 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.6 pp -135.45 137.62 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' D' ' 17' ' ' LEU . 8.6 tt -144.71 85.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.89 -119.97 2.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' B' ' 35' ' ' MET . 0.4 OUTLIER -178.68 113.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttt 63.85 34.17 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.44 133.45 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -103.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.57 21.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.568 HG13 HG23 ' D' ' 39' ' ' VAL . 5.6 p -177.84 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.82 130.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.563 HG21 ' N ' ' E' ' 29' ' ' GLY . 2.4 mp -133.82 127.44 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.09 100.51 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -102.74 99.9 9.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -104.4 102.41 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.08 103.73 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -134.33 74.74 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t 51.91 -169.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.61 -124.1 5.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.56 ' CE2' HG11 ' F' ' 12' ' ' VAL . 12.4 p90 -171.53 53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 52.03 69.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' F' ' 10' ' ' TYR . 6.2 m -152.88 47.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -172.41 103.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -148.39 -74.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.504 ' HB3' ' HE1' ' C' ' 35' ' ' MET . 3.7 mp0 -96.88 114.54 26.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 95.51 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.579 HD11 HD22 ' E' ' 17' ' ' LEU . 9.4 mp -103.99 106.35 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.551 ' O ' HG23 ' E' ' 18' ' ' VAL . 2.7 p -158.57 135.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.626 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -90.51 150.3 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 66.21 117.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.25 -34.78 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.38 -70.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.46 137.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.636 HG12 HG22 ' E' ' 24' ' ' VAL . 3.6 m -127.91 -179.06 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.7 -75.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -124.07 127.13 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.14 90.47 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -108.93 89.0 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.544 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 101.06 31.71 5.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.626 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.84 107.84 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.607 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.5 pp -136.18 138.39 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' F' ' 32' ' ' ILE . 7.8 tt -145.68 85.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 -120.56 2.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' C' ' 35' ' ' MET . 0.4 OUTLIER -179.2 113.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttt 64.07 34.23 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.64 133.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.44 -104.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.7 163.62 21.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.521 HG13 HG23 ' E' ' 39' ' ' VAL . 5.5 p -177.98 121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.76 130.71 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.544 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.4 mp -133.92 127.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 103.56 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.52 98.87 8.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.98 103.12 13.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.43 98.72 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.14 -38.87 10.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -172.88 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.49 -38.82 1.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 61.04 57.45 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -175.29 144.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 12' ' ' VAL . 6.0 p -116.01 121.41 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -177.98 105.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -144.19 145.84 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.471 HE22 HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -107.6 98.24 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 115.71 23.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.83 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.6 mp -112.95 106.65 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.768 HG12 HG22 ' B' ' 18' ' ' VAL . 5.0 m -139.85 -178.13 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -132.31 -37.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -173.92 162.55 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.07 68.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.14 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.5 55.54 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG21 ' OD1' ' A' ' 27' ' ' ASN . 7.1 p -65.61 145.46 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -87.39 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -131.54 127.96 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.822 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG21 ' A' ' 24' ' ' VAL . 30.3 m-20 -95.44 83.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 58.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.557 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.88 34.15 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.47 114.19 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -140.43 135.68 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.706 HD13 ' O ' ' A' ' 18' ' ' VAL . 3.3 tt -148.64 83.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -134.1 143.55 15.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.64 123.89 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.725 ' HE3' HD13 ' D' ' 34' ' ' LEU . 2.9 tmm? 64.64 50.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 33' ' ' GLY . 86.4 t -91.25 143.47 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.34 -139.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.86 174.89 42.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.894 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -178.26 127.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 111.108 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.28 130.38 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.557 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.9 mt -132.42 136.18 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.37 103.51 14.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.52 98.95 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -102.03 103.06 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.41 98.7 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.97 -57.71 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -168.45 -73.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 158.59 7.48 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 63.19 102.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 141.48 19.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' C' ' 11' ' ' GLU . 26.8 m -69.25 179.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 57.97 95.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -105.8 -58.44 1.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.482 HE22 HD13 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -107.69 98.07 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 115.75 23.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.6 mp -112.91 106.79 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.768 HG22 HG12 ' A' ' 18' ' ' VAL . 6.8 m -140.16 -178.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.524 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -131.58 -38.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.34 163.07 3.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.01 68.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.42 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.47 56.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' B' ' 27' ' ' ASN . 7.3 p -65.33 145.65 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.43 ' H ' HG13 ' A' ' 24' ' ' VAL . . . -81.08 -87.38 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -132.33 126.63 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' B' ' 24' ' ' VAL . 30.5 m-20 -95.81 84.63 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.16 59.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 126.7 32.9 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.83 113.95 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.598 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.6 pp -139.83 136.32 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.83 HD11 ' HB3' ' A' ' 17' ' ' LEU . 3.7 tt -149.01 82.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.576 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -134.43 143.68 15.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -79.15 124.16 28.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.715 ' HE3' HD13 ' E' ' 34' ' ' LEU . 3.0 tmm? 64.14 50.54 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 33' ' ' GLY . 89.5 t -90.99 143.27 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.18 -139.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.03 174.72 43.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.894 HG13 HG23 ' A' ' 39' ' ' VAL . 4.2 p -178.31 127.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 56.3 t -121.74 130.72 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.9 mt -132.24 136.03 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.794 0.331 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.3 103.56 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.59 98.93 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -101.93 103.03 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 98.7 8.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.84 83.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -98.97 39.01 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 7.6 p -76.21 109.84 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.7 113.97 0.5 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 -70.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.51 ' HB2' HG11 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -129.29 141.74 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.98 71.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -123.08 -74.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m80 71.31 -70.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.505 HE22 HD13 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -107.68 98.73 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.81 115.33 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.505 HD13 HE22 ' C' ' 15' ' ' GLN . 1.6 mp -113.66 105.98 13.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.763 HG22 HG12 ' B' ' 18' ' ' VAL . 11.0 m -140.28 -177.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.581 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -131.56 -38.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -173.75 163.45 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.29 67.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.96 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.58 56.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.553 HG21 ' OD1' ' C' ' 27' ' ' ASN . 7.2 p -64.86 146.08 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' B' ' 24' ' ' VAL . . . -80.95 -87.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.48 126.42 32.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.553 ' OD1' HG21 ' C' ' 24' ' ' VAL . 31.5 m-20 -96.35 85.01 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.81 59.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.528 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 126.43 31.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.54 113.87 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -139.68 137.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' B' ' 17' ' ' LEU . 3.7 tt -150.04 82.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.54 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -135.0 142.81 14.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.647 HD13 ' HE3' ' E' ' 35' ' ' MET . 0.2 OUTLIER -79.96 124.23 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.751 ' HE3' HD13 ' F' ' 34' ' ' LEU . 3.0 tmm? 64.68 50.36 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.54 HG23 ' O ' ' C' ' 33' ' ' GLY . 89.0 t -91.79 143.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.22 -139.76 1.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.32 174.83 43.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.891 HG13 HG23 ' B' ' 39' ' ' VAL . 4.2 p -178.36 127.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.36 131.1 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.528 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.9 mt -132.12 136.17 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.46 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.28 103.53 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.53 98.94 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.96 103.1 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.46 98.76 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.82 83.77 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -116.19 37.71 3.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.82 -43.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.86 -139.0 30.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.81 140.05 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -53.51 107.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -81.45 -61.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.82 179.89 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -162.16 113.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.489 HE22 HD13 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -107.67 98.12 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.82 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.821 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -112.99 106.9 15.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.727 HG12 HG22 ' E' ' 18' ' ' VAL . 5.3 m -139.64 -178.35 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.404 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.5 OUTLIER -132.29 -37.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -173.72 162.55 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 68.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -163.08 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.57 55.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.505 HG21 ' OD1' ' D' ' 27' ' ' ASN . 7.2 p -65.85 145.48 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.29 -87.13 0.65 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -131.51 127.64 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' D' ' 24' ' ' VAL . 30.6 m-20 -94.96 83.69 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.99 59.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 127.17 34.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.404 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.68 113.96 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.596 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -140.39 135.6 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.699 HD13 ' O ' ' D' ' 18' ' ' VAL . 3.3 tt -148.96 84.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.577 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -133.71 143.81 15.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.725 HD13 ' HE3' ' A' ' 35' ' ' MET . 0.2 OUTLIER -78.12 123.29 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.621 ' HB2' HD21 ' B' ' 34' ' ' LEU . 2.9 tmm? 64.44 50.89 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.577 HG23 ' O ' ' D' ' 33' ' ' GLY . 86.6 t -91.47 143.6 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 -139.72 1.86 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.0 175.08 42.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' E' ' 39' ' ' VAL . 4.3 p -178.03 127.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -122.2 130.42 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.9 mt -132.61 136.24 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.774 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.32 103.47 14.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.51 98.9 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -101.94 103.04 13.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.38 98.72 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -110.87 83.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -88.54 87.16 7.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -63.1 116.83 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.94 127.71 2.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -169.9 171.4 7.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -128.52 -39.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.73 129.05 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -81.37 -178.16 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -106.53 -72.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.484 HE22 HD13 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -107.64 98.0 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.62 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -112.88 107.03 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.743 HG12 HG22 ' F' ' 18' ' ' VAL . 6.4 m -139.89 -178.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -131.63 -38.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -174.43 163.03 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.17 68.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.4 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.27 56.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.536 HG21 ' OD1' ' E' ' 27' ' ' ASN . 7.3 p -65.43 145.56 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.447 ' H ' HG13 ' D' ' 24' ' ' VAL . . . -81.14 -87.4 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 36.3 m -132.32 126.68 33.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.824 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.536 ' OD1' HG21 ' E' ' 24' ' ' VAL . 29.5 m-20 -95.74 84.44 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.13 59.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 126.7 32.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.78 113.97 18.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.596 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.83 136.27 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.821 HD11 ' HB3' ' D' ' 17' ' ' LEU . 3.7 tt -148.9 83.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.57 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -134.0 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.715 HD13 ' HE3' ' B' ' 35' ' ' MET . 0.3 OUTLIER -78.95 124.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.955 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.647 ' HE3' HD13 ' C' ' 34' ' ' LEU . 2.9 tmm? 64.05 50.65 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.57 HG23 ' O ' ' E' ' 33' ' ' GLY . 89.5 t -91.04 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.21 -139.62 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 174.81 43.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' D' ' 39' ' ' VAL . 4.2 p -178.21 127.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 57.1 t -121.82 130.64 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.546 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.9 mt -132.34 136.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.425 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.26 103.51 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.53 98.93 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -102.0 103.12 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.4 98.69 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -110.83 83.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.7 103.29 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -72.94 174.64 7.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.37 -168.29 22.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.07 -65.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.52 123.28 21.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.24 141.2 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -137.71 96.13 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -76.91 -38.32 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.76 98.45 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' E' ' 17' ' ' LEU . 1.6 mp -113.89 106.14 14.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.743 HG22 HG12 ' E' ' 18' ' ' VAL . 10.9 m -140.04 -177.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.582 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -131.49 -38.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -173.85 163.37 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.38 67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -163.98 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.65 56.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.543 HG21 ' OD1' ' F' ' 27' ' ' ASN . 7.2 p -64.95 146.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.456 ' H ' HG13 ' E' ' 24' ' ' VAL . . . -80.9 -87.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 36.1 m -132.5 126.41 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.543 ' OD1' HG21 ' F' ' 24' ' ' VAL . 31.2 m-20 -96.15 84.82 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.72 59.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.512 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 126.42 31.72 0.76 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.537 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.56 113.76 18.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.572 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -139.62 137.37 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' E' ' 17' ' ' LEU . 3.7 tt -149.91 82.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.525 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -134.76 143.2 14.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.751 HD13 ' HE3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -79.92 124.09 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.94 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 tmm? 64.25 50.62 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' F' ' 33' ' ' GLY . 90.2 t -91.66 143.97 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.99 -139.8 1.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.17 174.89 43.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.54 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -178.3 127.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.64 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.512 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.9 mt -132.29 136.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.425 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.21 101.56 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 101.01 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.76 100.86 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.46 101.68 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.89 68.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.77 39.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.62 178.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.79 -104.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.08 83.19 2.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -161.72 141.75 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -148.53 150.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -176.42 52.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -159.2 -176.61 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.751 ' OE1' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -99.09 104.28 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.18 117.23 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD13 ' OE1' ' A' ' 15' ' ' GLN . 1.5 mp -115.05 106.29 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.587 HG23 HG13 ' B' ' 18' ' ' VAL . 8.5 p -138.02 160.3 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' N ' HG22 ' A' ' 18' ' ' VAL . 1.9 t80 -119.46 -50.19 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CD1' HG21 ' A' ' 24' ' ' VAL . 32.5 m-85 -106.78 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.54 146.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 51.42 72.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.798 HG21 ' CD1' ' A' ' 20' ' ' PHE . 8.3 p -117.77 138.11 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.46 -122.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -102.36 140.22 36.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -100.26 82.61 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -104.98 84.78 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.641 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 104.77 31.26 4.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 113.45 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.7 pp -139.37 135.93 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.711 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -141.8 80.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -135.79 137.52 9.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 128.7 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.594 ' CE ' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 64.58 46.9 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' GLY . 99.4 t -94.44 144.57 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.61 -158.46 15.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.49 166.53 2.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.9 t -150.34 141.83 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' A' ' 41' ' ' ILE . 38.9 t -133.32 109.36 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 40' ' ' VAL . 19.0 mm -134.14 123.23 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.25 101.64 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.04 101.1 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.74 100.91 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.47 101.65 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -106.91 68.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.35 -39.53 89.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 85.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.15 -144.13 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -118.75 42.79 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -139.32 49.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -73.29 176.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.26 138.77 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -61.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.764 ' OE1' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -99.12 104.11 16.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.76 116.92 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.764 HD13 ' OE1' ' B' ' 15' ' ' GLN . 1.5 mp -115.46 105.57 12.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.632 HG23 HG13 ' C' ' 18' ' ' VAL . 8.2 p -138.48 160.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.8 t80 -119.79 -50.78 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' B' ' 24' ' ' VAL . 30.3 m-85 -106.26 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.84 146.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 51.11 73.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' B' ' 20' ' ' PHE . 8.7 p -117.34 137.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.8 -121.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -102.79 139.28 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -100.29 83.44 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.47 85.08 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.605 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 104.25 30.55 5.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.57 112.66 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.627 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.6 pp -139.56 135.96 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.729 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.9 tt -142.8 80.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.519 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -135.42 137.67 9.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 128.68 33.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.616 ' CE ' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 64.57 46.81 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 33' ' ' GLY . 99.8 t -94.36 144.39 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.32 -158.67 14.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.51 166.19 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.62 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.663 ' O ' HD13 ' B' ' 41' ' ' ILE . 38.9 t -133.02 109.3 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.663 HD13 ' O ' ' B' ' 40' ' ' VAL . 18.3 mm -133.67 123.5 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 101.53 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.95 101.03 10.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.68 100.9 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.41 101.68 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -106.92 68.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.59 117.82 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.88 155.95 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.34 155.28 22.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.27 96.46 4.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.33 156.65 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -158.05 163.45 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.1 -76.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.768 ' OE1' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -99.28 104.6 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.72 117.02 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.768 HD13 ' OE1' ' C' ' 15' ' ' GLN . 1.4 mp -115.92 104.81 11.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.632 HG13 HG23 ' B' ' 18' ' ' VAL . 8.4 p -139.99 160.33 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.073 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.729 ' HE1' HG22 ' B' ' 32' ' ' ILE . 1.9 t80 -120.59 -50.12 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.666 ' CD1' HG21 ' C' ' 24' ' ' VAL . 27.1 m-85 -105.28 -173.21 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.53 -45.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.84 145.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.92 73.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.666 HG21 ' CD1' ' C' ' 20' ' ' PHE . 8.7 p -117.15 137.69 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.73 -121.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.5 m -102.93 139.03 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.83 82.78 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.89 85.53 2.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.437 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 104.07 29.3 5.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -79.63 112.86 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.611 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.6 pp -140.23 135.94 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' B' ' 17' ' ' LEU . 13.9 tt -144.13 79.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.517 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -136.17 137.91 9.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.439 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.6 ' CE ' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 64.96 47.07 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.517 HG23 ' O ' ' C' ' 33' ' ' GLY . 99.3 t -94.97 144.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.64 -158.74 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 166.39 2.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.3 141.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.646 ' O ' HD13 ' C' ' 41' ' ' ILE . 39.2 t -133.44 109.56 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.646 HD13 ' O ' ' C' ' 40' ' ' VAL . 20.0 mm -134.01 123.36 44.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 101.59 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.99 100.98 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -103.73 100.97 10.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.5 101.71 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.91 68.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -94.62 51.31 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -106.03 -173.79 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.27 54.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -142.04 135.23 29.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.65 176.03 8.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.63 -37.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -150.5 142.38 23.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -171.43 141.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.756 ' OE1' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -99.16 104.48 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.09 117.4 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.756 HD13 ' OE1' ' D' ' 15' ' ' GLN . 1.4 mp -114.81 106.67 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.555 HG23 HG13 ' E' ' 18' ' ' VAL . 8.6 p -137.94 160.37 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.415 ' N ' HG22 ' D' ' 18' ' ' VAL . 2.0 t80 -118.93 -49.95 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CD1' HG21 ' D' ' 24' ' ' VAL . 31.8 m-85 -106.58 -172.24 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.5 -45.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.67 147.11 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 51.52 71.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CD1' ' D' ' 20' ' ' PHE . 8.2 p -118.24 137.87 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -121.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -102.48 140.18 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.67 82.58 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -105.03 84.94 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.653 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 104.87 31.26 4.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 113.78 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.623 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.7 pp -139.43 136.0 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.0 tt -141.59 80.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.516 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -135.42 137.46 9.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.438 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -80.2 128.53 33.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.769 0.318 . . . . 0.0 110.929 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.43 47.13 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 33' ' ' GLY . 96.6 t -94.61 144.25 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.56 -158.32 14.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.42 166.49 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.27 141.94 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.656 ' O ' HD13 ' D' ' 41' ' ' ILE . 38.9 t -133.08 109.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.656 HD13 ' O ' ' D' ' 40' ' ' VAL . 19.2 mm -134.02 123.25 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.18 101.59 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.98 101.03 10.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -103.74 100.86 10.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.41 101.67 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -106.87 68.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.66 100.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.64 84.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.64 -33.96 55.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 58.37 79.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.538 ' HG3' HG13 ' E' ' 12' ' ' VAL . 9.9 pt-20 -114.93 -36.66 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' E' ' 11' ' ' GLU . 27.9 m -109.78 44.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -116.15 109.53 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -133.69 -63.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.767 ' OE1' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -99.05 104.27 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 116.74 25.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.767 HD13 ' OE1' ' E' ' 15' ' ' GLN . 1.5 mp -115.73 105.89 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.653 HG23 HG13 ' F' ' 18' ' ' VAL . 8.1 p -138.16 160.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.8 t80 -119.44 -51.09 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.763 ' CD1' HG21 ' E' ' 24' ' ' VAL . 31.0 m-85 -106.35 -172.55 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.1 -44.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.81 146.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 51.08 72.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' E' ' 20' ' ' PHE . 8.8 p -117.35 137.75 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -121.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -102.85 139.4 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.11 83.35 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -105.48 84.94 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.618 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 104.32 30.56 4.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.57 113.08 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.6 pp -139.57 136.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.723 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.9 tt -142.5 80.39 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.507 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -135.36 137.57 9.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.616 HD13 ' CE ' ' B' ' 35' ' ' MET . 0.3 OUTLIER -80.59 128.64 33.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.2 47.04 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' E' ' 33' ' ' GLY . 99.2 t -94.38 144.57 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.24 -158.61 13.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.61 166.38 2.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.66 ' O ' HD13 ' E' ' 41' ' ' ILE . 39.0 t -132.98 109.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.66 HD13 ' O ' ' E' ' 40' ' ' VAL . 18.6 mm -133.86 123.45 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.24 101.64 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 101.01 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.75 100.9 10.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -104.44 101.69 11.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -106.94 68.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.2 111.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.49 -53.79 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.81 -156.16 22.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -63.94 166.21 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.972 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -55.38 134.26 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -137.09 146.87 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.75 169.94 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -54.42 -37.92 65.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.757 ' OE1' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -99.0 104.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 116.43 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.757 HD13 ' OE1' ' F' ' 15' ' ' GLN . 1.4 mp -116.26 104.78 11.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.653 HG13 HG23 ' E' ' 18' ' ' VAL . 8.3 p -139.71 160.48 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.723 ' HE1' HG22 ' E' ' 32' ' ' ILE . 1.9 t80 -120.37 -50.36 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.672 ' CD1' HG21 ' F' ' 24' ' ' VAL . 27.6 m-85 -105.42 -173.25 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.62 -45.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.85 145.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.88 73.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' F' ' 20' ' ' PHE . 8.8 p -117.19 137.8 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.68 -121.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -103.01 139.16 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.71 82.75 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -104.9 85.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 104.17 29.34 5.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -79.75 113.0 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.6 pp -140.12 136.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.564 HG13 HG23 ' E' ' 32' ' ' ILE . 13.9 tt -143.98 79.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.512 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -135.93 138.05 9.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.6 HD13 ' CE ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -80.54 128.72 33.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.3 tmm? 64.51 47.08 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.512 HG23 ' O ' ' F' ' 33' ' ' GLY . 99.5 t -94.66 144.41 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.57 -158.74 15.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.79 166.43 2.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.32 141.74 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.65 ' O ' HD13 ' F' ' 41' ' ' ILE . 39.0 t -133.25 109.4 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.65 HD13 ' O ' ' F' ' 40' ' ' VAL . 19.8 mm -134.0 123.31 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.14 100.41 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.06 101.3 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.43 100.41 10.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.98 101.23 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -107.93 98.34 7.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.49 -72.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 t -179.38 -74.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.86 -156.59 18.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -153.86 97.71 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.67 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t 63.61 105.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -139.72 -74.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m170 56.6 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 103.83 12.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 32' ' ' ILE . 8.9 mp -104.38 96.56 6.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.891 HG12 HG22 ' B' ' 18' ' ' VAL . 5.8 m -139.41 175.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -138.3 -41.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 24' ' ' VAL . 12.4 m-85 -129.8 141.51 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.0 33.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.12 53.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.39 118.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 20' ' ' PHE . 9.9 p -140.31 143.76 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.86 -115.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.83 136.51 44.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.15 89.12 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.17 69.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.552 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 114.23 53.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -99.1 114.53 27.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.648 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -138.23 134.79 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.548 HG22 ' HE1' ' B' ' 19' ' ' PHE . 11.4 tt -141.38 84.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.09 155.13 23.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' D' ' 34' ' ' LEU . 0.2 OUTLIER -102.42 126.36 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.588 ' HB2' HD13 ' D' ' 34' ' ' LEU . 3.3 tmm? 66.45 36.95 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.15 148.02 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.63 -147.76 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.24 166.01 51.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 31' ' ' ILE . 97.0 t -150.22 141.7 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.22 123.58 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.7 mt -130.42 136.53 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.23 100.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.33 10.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.45 100.35 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.91 101.22 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -107.99 98.33 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -66.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 72.11 -69.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.02 -122.03 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -141.73 116.11 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.65 76.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -146.64 71.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 52.63 89.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -99.35 127.13 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.02 110.84 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.22 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' B' ' 34' ' ' LEU . 9.0 mp -105.14 96.37 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.891 HG22 HG12 ' A' ' 18' ' ' VAL . 5.9 m -139.6 175.41 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -138.61 -41.78 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.707 ' CD1' HG21 ' B' ' 24' ' ' VAL . 13.5 m-85 -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.76 33.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.91 54.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.12 119.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -140.15 143.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.58 -114.7 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.31 135.45 46.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -100.66 89.47 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.76 70.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.551 ' CA ' HG21 ' B' ' 41' ' ' ILE . . . 113.52 53.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -101.0 113.73 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.648 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -137.94 134.78 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.564 HG22 ' HE1' ' C' ' 19' ' ' PHE . 11.7 tt -141.73 83.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.8 23.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' E' ' 35' ' ' MET . 0.2 OUTLIER -102.41 126.39 49.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.594 ' HB2' HD13 ' E' ' 34' ' ' LEU . 3.3 tmm? 66.56 36.97 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 148.28 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.44 -147.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.42 165.95 50.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.561 HG11 HG21 ' B' ' 31' ' ' ILE . 99.1 t -150.31 141.75 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.04 123.75 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.551 HG21 ' CA ' ' B' ' 29' ' ' GLY . 2.7 mt -130.4 136.54 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.536 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.25 100.39 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.01 101.3 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.4 100.4 10.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.94 101.15 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -108.01 98.37 7.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t 58.65 -170.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.15 170.09 24.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 52.04 77.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 175.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -52.84 -35.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -51.74 122.68 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -155.73 40.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.01 110.81 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.75 103.37 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.606 HD21 ' CD2' ' C' ' 34' ' ' LEU . 9.0 mp -105.12 96.27 6.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.873 HG22 HG12 ' B' ' 18' ' ' VAL . 6.5 m -139.59 175.02 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -138.76 -41.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' C' ' 24' ' ' VAL . 10.2 m-85 -129.68 140.91 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.17 32.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.45 54.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.07 119.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.676 HG21 ' CD1' ' C' ' 20' ' ' PHE . 9.9 p -139.18 142.97 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.188 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -113.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.44 134.44 48.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.9 0.381 . . . . 0.0 110.817 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -101.18 88.62 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.74 70.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' C' ' 41' ' ' ILE . . . 113.62 52.64 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -102.15 113.57 26.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.613 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -138.42 135.45 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.533 HG23 ' O ' ' C' ' 32' ' ' ILE . 11.9 tt -142.76 83.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.61 154.62 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.606 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -103.03 126.96 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.475 ' HB2' HD13 ' F' ' 34' ' ' LEU . 3.3 tmm? 66.99 36.87 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.94 148.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.29 -147.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.19 50.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.543 HG11 HG21 ' C' ' 31' ' ' ILE . 99.1 t -150.26 141.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.72 123.75 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.543 HG21 ' CA ' ' C' ' 29' ' ' GLY . 2.7 mt -130.59 136.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.536 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.19 100.37 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.04 101.33 10.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -104.44 100.4 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.93 101.2 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -107.97 98.28 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.6 -51.58 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.74 179.67 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.32 80.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 62.16 174.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 145.06 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.0 138.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.69 154.17 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -134.78 143.5 47.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.0 110.56 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.2 104.03 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' E' ' 32' ' ' ILE . 8.9 mp -104.4 96.63 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.858 HG12 HG22 ' E' ' 18' ' ' VAL . 5.5 m -139.18 175.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.475 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -138.27 -41.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.712 ' CD1' HG21 ' D' ' 24' ' ' VAL . 11.9 m-85 -129.67 141.71 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.06 34.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.97 53.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.18 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.712 HG21 ' CD1' ' D' ' 20' ' ' PHE . 9.9 p -140.64 143.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 -114.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.95 136.37 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.83 89.08 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.15 70.28 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.55 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 114.33 53.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -99.52 114.47 27.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -137.97 134.65 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.553 HG22 ' HE1' ' E' ' 19' ' ' PHE . 11.4 tt -141.32 84.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.409 ' HA3' HG21 ' D' ' 36' ' ' VAL . . . -138.85 155.21 23.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -102.28 126.05 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.6 ' HB2' HD13 ' A' ' 34' ' ' LEU . 3.3 tmm? 66.64 37.15 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.409 HG21 ' HA3' ' D' ' 33' ' ' GLY . 41.7 t -88.48 148.03 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.8 -147.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.51 166.0 50.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.532 HG11 HG21 ' D' ' 31' ' ' ILE . 99.5 t -150.24 141.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -136.14 123.71 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.55 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.7 mt -130.34 136.62 58.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.788 0.328 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.16 100.43 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.35 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.33 100.35 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.88 101.28 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -107.91 98.3 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.3 42.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -144.12 93.39 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.27 -123.05 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -86.01 116.44 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.554 ' O ' HG22 ' E' ' 12' ' ' VAL . 73.2 mt-10 -135.87 -66.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.554 HG22 ' O ' ' E' ' 11' ' ' GLU . 12.1 m 43.48 -164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.45 153.13 39.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -126.5 121.59 32.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -101.97 110.95 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.9 103.28 12.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD11 ' F' ' 32' ' ' ILE . 8.9 mp -105.18 96.56 6.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.872 HG12 HG22 ' F' ' 18' ' ' VAL . 5.9 m -139.59 175.45 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -138.57 -41.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.702 ' CD1' HG21 ' E' ' 24' ' ' VAL . 13.4 m-85 -130.18 141.44 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.68 33.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.78 54.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.06 119.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.702 HG21 ' CD1' ' E' ' 20' ' ' PHE . 9.9 p -140.24 143.82 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.38 -114.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.32 135.82 45.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.67 89.48 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.83 70.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.556 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 113.5 53.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.587 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -100.94 113.82 27.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.708 0.29 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -137.96 134.7 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.581 HG22 ' HE1' ' F' ' 19' ' ' PHE . 11.6 tt -141.58 83.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA3' HG21 ' E' ' 36' ' ' VAL . . . -138.94 154.87 23.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' B' ' 35' ' ' MET . 0.2 OUTLIER -102.53 126.35 49.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.55 ' HB2' HD13 ' B' ' 34' ' ' LEU . 3.3 tmm? 66.51 37.07 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.404 HG21 ' HA3' ' E' ' 33' ' ' GLY . 41.6 t -88.36 148.43 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.6 -147.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.46 166.05 50.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.528 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.55 HG11 HG21 ' E' ' 31' ' ' ILE . 99.9 t -150.23 141.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.98 123.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.556 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.7 mt -130.51 136.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.528 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.16 100.43 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.08 101.29 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -104.39 100.37 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.9 101.19 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -108.01 98.35 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 89.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -100.42 -36.05 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.4 164.54 1.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 62.75 -177.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.26 90.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -147.85 81.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.15 142.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -142.49 -56.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -102.11 110.76 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.82 103.32 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.607 HD21 ' CD2' ' F' ' 34' ' ' LEU . 9.0 mp -105.06 96.36 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.872 HG22 HG12 ' E' ' 18' ' ' VAL . 6.7 m -139.53 175.14 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -138.65 -42.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' F' ' 24' ' ' VAL . 10.3 m-85 -129.7 140.96 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.09 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.47 54.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.05 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' F' ' 20' ' ' PHE . 10.0 p -139.37 143.08 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.68 -113.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.38 134.67 48.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.2 88.71 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -104.79 70.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.541 ' CA ' HG21 ' F' ' 41' ' ' ILE . . . 113.57 52.53 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.52 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -102.12 113.51 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.629 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -138.43 135.46 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.531 HG23 ' O ' ' F' ' 32' ' ' ILE . 11.8 tt -142.53 83.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.47 154.62 23.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.607 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.97 126.82 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.428 ' HB2' HD13 ' C' ' 34' ' ' LEU . 3.3 tmm? 66.97 36.96 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.828 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -88.92 148.42 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.25 -147.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 166.11 50.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.535 HG11 HG21 ' F' ' 31' ' ' ILE . 99.4 t -150.18 142.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.89 123.72 36.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.541 HG21 ' CA ' ' F' ' 29' ' ' GLY . 2.7 mt -130.53 136.74 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.528 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.58 98.48 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.13 101.47 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -102.07 100.57 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.99 100.63 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.18 79.36 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.03 -38.24 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 -171.43 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.2 -152.79 17.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.98 124.27 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.952 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.7 -70.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' B' ' 14' ' ' HIS . 7.1 p -173.42 -35.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -47.64 123.45 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -139.07 -64.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.24 101.77 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.04 108.87 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.8 mp -109.19 105.83 15.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -140.68 176.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -133.21 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 24' ' ' VAL . 27.7 m-85 -123.43 -166.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.81 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -142.07 -165.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.56 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 20' ' ' PHE . 10.5 p -106.86 -34.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.95 -102.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -131.24 131.55 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' B' ' 24' ' ' VAL . 2.4 m-20 -95.19 81.86 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.34 69.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.587 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 128.62 35.69 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.23 115.32 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD11 ' B' ' 31' ' ' ILE . 2.0 pp -134.74 131.35 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.482 HG22 ' HE1' ' B' ' 19' ' ' PHE . 5.4 tt -142.48 85.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' A' ' 36' ' ' VAL . . . -130.95 131.89 6.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -95.06 33.03 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.407 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER 178.87 35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' HA3' ' A' ' 33' ' ' GLY . 98.8 t -97.77 143.98 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.59 62.84 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.15 142.97 5.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.454 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.699 HG21 HG21 ' A' ' 31' ' ' ILE . 6.1 p -177.39 131.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' O ' HD13 ' A' ' 41' ' ' ILE . 22.0 t -132.29 124.97 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.587 HG21 ' HA2' ' A' ' 29' ' ' GLY . 23.1 mm -127.72 129.58 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.57 98.36 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.09 101.45 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -101.77 100.14 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.77 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -95.92 79.12 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.5 -37.51 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m 63.49 164.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.37 -101.18 2.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -131.37 122.3 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -169.34 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 m -91.61 178.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.7 m80 59.19 90.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.524 ' HB2' HG22 ' A' ' 12' ' ' VAL . 37.7 t60 -177.41 93.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.76 101.9 12.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.72 108.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.7 mp -109.4 105.41 14.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.84 HG23 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -140.35 176.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HG22 ' A' ' 32' ' ' ILE . 1.4 t80 -133.23 -40.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' B' ' 24' ' ' VAL . 27.9 m-85 -123.44 -167.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.19 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.0 -164.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.52 100.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.43 HG21 ' CD1' ' B' ' 20' ' ' PHE . 9.9 p -106.76 -34.84 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.33 -103.43 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.98 130.08 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.21 83.27 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 69.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.575 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 128.41 35.55 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -93.94 113.9 26.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.725 HD11 ' HB ' ' A' ' 31' ' ' ILE . 2.0 pp -134.97 130.97 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 17' ' ' LEU . 5.7 tt -142.27 85.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' B' ' 36' ' ' VAL . . . -129.85 132.35 7.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' B' ' 17' ' ' LEU . 0.3 OUTLIER -95.13 32.69 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.55 35.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.427 HG23 ' HA3' ' B' ' 33' ' ' GLY . 98.6 t -97.55 144.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.66 62.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.88 143.14 5.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.693 HG21 HG21 ' B' ' 31' ' ' ILE . 6.3 p -177.43 132.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.443 ' O ' HD13 ' B' ' 41' ' ' ILE . 22.0 t -131.9 125.22 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.575 HG21 ' HA2' ' B' ' 29' ' ' GLY . 22.8 mm -127.37 129.75 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.765 0.316 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.55 98.29 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.07 101.42 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -101.91 100.32 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.93 100.33 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.29 79.09 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -35.77 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -103.23 -170.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.69 -154.35 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -68.76 87.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.408 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -65.42 163.71 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.34 159.38 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.8 m80 63.03 53.65 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -52.83 -36.4 58.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 101.56 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.85 108.7 16.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.674 HD21 ' CD2' ' C' ' 34' ' ' LEU . 1.6 mp -109.46 105.17 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.806 HG23 HG13 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -141.14 176.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.516 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 1.3 t80 -133.1 -39.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.72 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.67 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.38 -164.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.63 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.24 -34.74 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.96 -103.36 0.89 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -130.83 129.74 42.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.09 83.1 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 69.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.67 33.98 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.516 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -95.22 112.98 24.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.664 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.9 pp -134.76 132.03 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.716 HD11 ' HB3' ' B' ' 17' ' ' LEU . 5.8 tt -142.25 85.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' C' ' 36' ' ' VAL . . . -130.09 131.57 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD21 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -95.64 32.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.94 35.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.402 HG23 ' HA3' ' C' ' 33' ' ' GLY . 95.4 t -97.94 144.33 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.62 63.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.02 142.8 5.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.633 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -177.79 131.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.446 ' O ' HD13 ' C' ' 41' ' ' ILE . 21.9 t -132.24 125.11 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.446 HD13 ' O ' ' C' ' 40' ' ' VAL . 23.1 mm -127.78 129.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.096 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.58 98.42 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.06 101.44 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -101.98 100.35 10.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 100.62 10.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.19 79.13 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.71 -43.12 6.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t 72.16 -69.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.98 -152.03 22.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.11 136.74 52.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -154.38 130.97 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.53 41.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -87.23 62.85 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -177.74 174.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.41 101.88 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -116.71 109.02 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.7 mp -109.28 105.99 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.779 HG13 HG23 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.67 176.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -133.24 -39.64 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' D' ' 24' ' ' VAL . 26.7 m-85 -123.21 -167.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.79 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -141.75 -165.43 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 100.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' D' ' 20' ' ' PHE . 10.6 p -106.93 -34.4 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.42 -102.5 0.83 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.14 131.49 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 81.87 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.76 69.6 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.6 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 128.74 35.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 115.75 28.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.719 HG21 HG21 ' D' ' 39' ' ' VAL . 2.0 pp -134.48 131.44 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.444 HG22 ' HE1' ' E' ' 19' ' ' PHE . 5.2 tt -142.16 86.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' D' ' 36' ' ' VAL . . . -130.43 132.47 6.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.46 ' CD2' HD21 ' D' ' 17' ' ' LEU . 0.3 OUTLIER -94.97 33.02 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.38 35.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.414 HG23 ' HA3' ' D' ' 33' ' ' GLY . 99.6 t -98.24 143.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.87 62.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.19 143.32 5.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.719 HG21 HG21 ' D' ' 31' ' ' ILE . 5.9 p -177.02 132.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.434 ' O ' HD13 ' D' ' 41' ' ' ILE . 21.9 t -132.01 124.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.6 HG21 ' HA2' ' D' ' 29' ' ' GLY . 23.6 mm -127.88 129.47 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.837 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.54 98.34 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.02 101.36 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -101.94 100.35 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.99 100.44 10.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -96.23 79.12 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -37.57 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -102.98 177.61 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.72 117.47 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -88.87 145.45 25.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.16 -72.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -145.65 168.14 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -86.2 -175.82 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -144.1 144.93 31.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.35 101.67 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -116.86 108.28 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.72 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.7 mp -109.68 105.68 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.779 HG23 HG13 ' D' ' 18' ' ' VAL . 0.0 OUTLIER -140.17 176.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HG22 ' D' ' 32' ' ' ILE . 1.4 t80 -133.18 -40.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.437 ' CD1' HG21 ' E' ' 24' ' ' VAL . 26.8 m-85 -123.63 -167.34 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.16 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -142.96 -164.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.38 99.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' E' ' 20' ' ' PHE . 10.1 p -106.83 -34.79 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -103.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -131.06 130.24 42.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.25 83.22 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 69.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.607 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 128.39 35.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -93.79 114.16 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' E' ' 39' ' ' VAL . 2.0 pp -134.93 130.94 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.728 HD11 ' HB3' ' D' ' 17' ' ' LEU . 5.7 tt -141.94 86.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' E' ' 36' ' ' VAL . . . -129.75 132.36 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.547 ' CD2' HD21 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -95.08 32.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.47 35.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.416 HG23 ' HA3' ' E' ' 33' ' ' GLY . 98.6 t -97.63 144.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.71 62.8 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 142.82 5.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' E' ' 31' ' ' ILE . 6.2 p -177.68 131.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.435 ' O ' HD13 ' E' ' 41' ' ' ILE . 22.0 t -132.11 125.16 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.607 HG21 ' HA2' ' E' ' 29' ' ' GLY . 22.8 mm -127.52 129.71 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.52 98.3 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -105.07 101.39 10.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -101.88 100.33 10.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.98 100.51 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -96.17 79.21 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -67.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.22 -76.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.35 -115.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -142.16 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -179.45 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.88 80.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.25 -175.56 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -142.83 -51.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.52 101.03 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -117.43 108.16 15.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' F' ' 34' ' ' LEU . 1.7 mp -109.96 105.02 14.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.747 HG23 HG13 ' E' ' 18' ' ' VAL . 0.0 OUTLIER -140.94 176.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.515 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 1.3 t80 -133.05 -39.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -123.7 -168.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.71 -33.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -143.39 -164.6 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.4 -34.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 -103.34 0.88 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -130.93 129.69 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.05 83.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 69.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.418 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 128.54 34.24 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -95.16 112.98 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.672 HG21 HG21 ' F' ' 39' ' ' VAL . 2.0 pp -134.83 132.13 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' E' ' 17' ' ' LEU . 5.7 tt -141.93 85.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.02 131.67 6.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' F' ' 17' ' ' LEU . 0.3 OUTLIER -95.51 33.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.959 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.0 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.92 144.21 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.43 62.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.97 142.89 5.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.672 HG21 HG21 ' F' ' 31' ' ' ILE . 6.3 p -177.55 131.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.439 ' O ' HD13 ' F' ' 41' ' ' ILE . 21.9 t -132.37 124.87 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.439 HD13 ' O ' ' F' ' 40' ' ' VAL . 22.9 mm -127.7 129.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.807 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.1 101.99 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.16 101.5 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.95 102.43 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.72 103.53 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -105.89 75.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -99.9 75.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 p -122.63 104.26 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.74 -58.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -77.77 65.14 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.92 -73.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.38 150.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -108.53 -174.06 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -71.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG3' ' HE3' ' D' ' 35' ' ' MET . 3.1 mp0 -113.26 114.69 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -108.58 90.91 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.614 ' HB3' HD11 ' B' ' 32' ' ' ILE . 9.3 mp -100.37 96.89 7.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 19' ' ' PHE . 4.2 t -142.02 159.4 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -127.26 147.29 50.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 67.51 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.37 27.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.6 -167.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.08 87.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' B' ' 24' ' ' VAL . 1.4 p -102.55 152.9 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.63 -117.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -104.41 147.77 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.15 81.45 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.83 71.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.686 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 119.44 33.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.01 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.662 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -128.13 133.73 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.4 tt -144.81 86.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.18 132.51 3.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' HG3' ' D' ' 35' ' ' MET . 0.1 OUTLIER -78.65 148.04 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.459 ' HE3' ' HG3' ' E' ' 15' ' ' GLN . 64.8 mmm 63.07 35.57 12.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.544 HG13 ' O ' ' B' ' 36' ' ' VAL . 97.4 t -103.35 130.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.37 118.63 1.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.8 111.44 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' B' ' 39' ' ' VAL . 6.1 p -177.22 133.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.39 117.35 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.686 HG21 ' CA ' ' A' ' 29' ' ' GLY . 25.2 mm -114.99 124.81 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.04 101.95 11.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.01 101.35 11.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -107.17 102.56 11.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 103.22 12.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -106.19 75.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.48 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 71.94 -69.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 -169.82 12.74 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 63.36 160.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.93 38.68 4.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -177.54 124.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -148.79 35.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -137.71 -79.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.497 ' HG3' ' HE3' ' E' ' 35' ' ' MET . 3.2 mp0 -114.17 114.27 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -109.4 89.0 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.722 HD22 HD11 ' C' ' 17' ' ' LEU . 9.2 mp -102.23 96.84 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' N ' ' B' ' 19' ' ' PHE . 4.1 t -141.11 159.55 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.441 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -127.25 146.54 50.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 67.14 142.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.83 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.84 -167.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.53 87.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.497 HG23 ' CG1' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -102.41 152.03 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.7 -117.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -105.14 146.09 29.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -93.22 82.35 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 71.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.666 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 118.74 33.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -79.89 100.36 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.8 pp -128.63 133.65 66.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 17' ' ' LEU . 6.5 tt -144.52 86.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.04 132.29 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -78.66 148.24 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.531 ' HE3' ' HG3' ' F' ' 15' ' ' GLN . 65.4 mmm 62.92 35.19 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 36' ' ' VAL . 88.6 t -103.7 130.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.44 119.09 1.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.438 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 111.18 3.55 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.902 HG13 HG23 ' A' ' 39' ' ' VAL . 6.1 p -177.49 132.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.21 117.53 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.666 HG21 ' HA2' ' B' ' 29' ' ' GLY . 24.6 mm -114.85 124.52 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.04 101.87 11.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.08 101.48 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -106.97 102.35 11.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 103.51 13.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.58 74.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 51.33 33.7 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t 51.52 35.8 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.62 -129.03 1.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.78 -50.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.32 170.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.22 148.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -175.52 157.36 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.79 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' HE3' ' F' ' 35' ' ' MET . 3.1 mp0 -112.87 114.85 27.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.9 87.47 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.722 HD11 HD22 ' B' ' 17' ' ' LEU . 9.2 mp -103.93 98.13 8.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.411 HG12 ' N ' ' C' ' 19' ' ' PHE . 4.2 t -140.65 159.32 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.16 145.73 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 66.52 141.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.96 26.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.46 -167.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.39 87.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' B' ' 24' ' ' VAL . 1.1 p -101.92 152.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -117.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 45.8 p -105.96 145.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -93.12 81.3 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.18 71.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 118.05 31.82 1.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' C' ' 19' ' ' PHE . . . -80.75 100.52 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.632 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -129.57 134.2 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.471 HG23 ' O ' ' C' ' 32' ' ' ILE . 6.7 tt -144.87 85.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.12 131.83 3.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' F' ' 35' ' ' MET . 0.1 OUTLIER -78.88 147.84 32.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 65.1 mmm 63.31 35.31 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.47 ' O ' HG13 ' B' ' 36' ' ' VAL . 87.2 t -103.86 130.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 118.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 111.16 3.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.792 HG13 HG23 ' B' ' 39' ' ' VAL . 6.2 p -177.55 133.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.19 117.31 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' C' ' 29' ' ' GLY . 24.9 mm -115.12 124.59 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.02 101.92 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.07 101.39 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.95 102.34 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.54 103.49 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -105.72 74.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.84 -36.62 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -96.86 118.28 32.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.1 -33.59 37.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 63.08 161.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.59 -74.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.4 t 64.4 67.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -108.36 35.86 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -91.14 -169.48 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -113.02 114.61 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -108.41 91.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' E' ' 32' ' ' ILE . 9.3 mp -99.87 96.45 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' D' ' 19' ' ' PHE . 4.1 t -142.12 159.48 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.413 ' N ' HG12 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 68.06 143.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.29 27.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.02 -168.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -67.35 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' E' ' 24' ' ' VAL . 1.4 p -102.78 152.45 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -117.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.2 p -104.36 147.77 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -92.52 81.29 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.28 72.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.695 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 119.57 33.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.29 101.18 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -127.63 133.73 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' D' ' 32' ' ' ILE . 6.3 tt -144.44 86.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.34 132.18 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.4 148.09 33.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.484 ' HE3' ' HG3' ' A' ' 15' ' ' GLN . 65.9 mmm 63.27 35.36 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.594 HG13 ' O ' ' E' ' 36' ' ' VAL . 95.3 t -103.68 130.21 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.3 118.5 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.83 111.55 3.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' E' ' 39' ' ' VAL . 6.1 p -177.07 133.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.32 117.41 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.695 HG21 ' HA2' ' D' ' 29' ' ' GLY . 25.4 mm -115.04 124.64 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.97 101.91 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.11 101.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.9 102.33 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.53 103.54 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.79 74.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -69.2 91.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t 63.33 37.5 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.46 33.54 5.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.738 ' O ' HG23 ' E' ' 12' ' ' VAL . 0.2 OUTLIER -91.09 -169.31 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.929 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.55 -40.71 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.738 HG23 ' O ' ' E' ' 10' ' ' TYR . 17.3 t 64.95 153.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -51.12 103.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -71.78 -35.82 70.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.459 ' HG3' ' HE3' ' A' ' 35' ' ' MET . 3.2 mp0 -113.15 114.25 26.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -109.16 89.55 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.715 HD22 HD11 ' F' ' 17' ' ' LEU . 9.2 mp -101.68 96.81 7.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.413 HG12 ' N ' ' E' ' 19' ' ' PHE . 4.1 t -141.24 159.66 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -127.09 146.91 50.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 67.27 142.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.84 26.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.05 -167.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.91 87.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.464 HG23 ' CG1' ' D' ' 24' ' ' VAL . 1.0 OUTLIER -102.66 152.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.47 -117.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 45.9 p -105.11 146.63 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -93.04 82.17 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.12 71.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.687 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 118.63 33.17 1.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' E' ' 19' ' ' PHE . . . -79.97 100.5 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.8 pp -128.37 133.39 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' D' ' 17' ' ' LEU . 6.8 tt -144.07 86.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.09 132.42 3.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -78.59 147.92 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.497 ' HE3' ' HG3' ' B' ' 15' ' ' GLN . 67.0 mmm 63.1 35.35 12.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.594 ' O ' HG13 ' D' ' 36' ' ' VAL . 91.8 t -103.44 130.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.35 118.91 1.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 111.16 3.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' D' ' 39' ' ' VAL . 6.1 p -177.55 133.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.33 117.44 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' E' ' 29' ' ' GLY . 24.8 mm -114.91 124.73 71.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 101.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -103.12 101.47 11.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -106.9 102.44 11.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 103.44 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.82 74.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -63.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -75.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.3 -35.32 2.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.32 -66.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.24 148.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.74 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -41.22 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.95 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.531 ' HG3' ' HE3' ' B' ' 35' ' ' MET . 3.1 mp0 -112.57 114.86 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -108.72 87.86 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.715 HD11 HD22 ' E' ' 17' ' ' LEU . 9.1 mp -103.54 97.74 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.42 HG12 ' N ' ' F' ' 19' ' ' PHE . 4.1 t -140.87 159.49 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.543 ' CE2' ' HB1' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -127.14 146.06 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 66.7 141.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.05 26.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.6 -167.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -66.69 87.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.453 HG23 ' CG1' ' E' ' 24' ' ' VAL . 1.2 p -102.1 152.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.74 -117.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -105.84 145.95 30.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -92.87 81.29 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.48 71.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 117.94 32.09 1.48 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CE2' ' F' ' 19' ' ' PHE . . . -80.76 100.43 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.651 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -129.5 134.32 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' E' ' 17' ' ' LEU . 6.6 tt -144.71 86.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.24 131.97 3.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' B' ' 35' ' ' MET . 0.1 OUTLIER -78.87 147.88 32.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.556 ' HE3' ' HG3' ' C' ' 15' ' ' GLN . 64.8 mmm 63.39 35.19 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.477 ' O ' HG13 ' E' ' 36' ' ' VAL . 87.4 t -103.53 130.39 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.31 119.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.0 111.11 3.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' E' ' 39' ' ' VAL . 6.2 p -177.52 133.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.27 117.26 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.622 HG21 ' HA2' ' F' ' 29' ' ' GLY . 25.4 mm -115.1 124.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.809 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.35 100.75 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.46 101.19 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -104.13 100.46 10.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.06 101.43 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -104.27 107.47 18.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 -36.19 11.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -177.64 61.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.79 95.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 53.19 85.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.51 113.2 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 t -142.41 149.21 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.162 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -59.94 -175.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.55 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.448 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -105.67 101.74 11.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.83 119.19 35.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -118.46 97.93 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.865 HG12 HG22 ' B' ' 18' ' ' VAL . 3.2 m -139.0 -171.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -148.33 -41.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.78 ' CE1' HG21 ' A' ' 24' ' ' VAL . 28.8 m-85 -120.04 141.06 50.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.97 60.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.74 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.5 81.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.78 HG21 ' CE1' ' A' ' 20' ' ' PHE . 7.2 p -96.96 147.0 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -93.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.69 130.54 56.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 86.39 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.8 62.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.685 ' HA2' HG21 ' A' ' 41' ' ' ILE . . . 126.26 47.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.629 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -101.17 107.8 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.605 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.9 pp -133.91 132.26 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.658 HG22 ' HE1' ' B' ' 19' ' ' PHE . 15.0 tt -153.75 38.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -99.43 109.38 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' B' ' 34' ' ' LEU . 2.7 pt? -52.73 135.1 35.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.419 ' HG3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 65.65 84.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 33' ' ' GLY . 48.7 t -146.81 140.78 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.34 -112.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.96 134.33 8.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.64 149.9 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.15 99.21 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HA2' ' A' ' 29' ' ' GLY . 22.0 mm -98.95 125.97 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB3' ' C ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.3 100.79 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 101.13 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -104.17 100.47 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.13 101.49 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -104.28 107.52 18.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.15 -36.93 84.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.3 t -150.44 -61.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.92 -79.39 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 67.7 m-85 -154.21 -178.21 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.18 140.21 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 10' ' ' TYR . 21.9 t -135.62 -56.13 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -55.2 160.56 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -147.26 -74.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -105.58 101.3 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.36 118.73 34.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' C' ' 32' ' ' ILE . 1.0 OUTLIER -119.36 97.34 5.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.865 HG22 HG12 ' A' ' 18' ' ' VAL . 3.2 m -139.58 -171.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.658 ' HE1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -148.41 -42.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.803 ' CE1' HG21 ' B' ' 24' ' ' VAL . 30.6 m-85 -120.14 141.04 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.92 -75.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.42 82.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.803 HG21 ' CE1' ' B' ' 20' ' ' PHE . 7.6 p -96.72 147.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -92.97 0.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.26 129.88 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.04 86.8 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.49 63.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' B' ' 41' ' ' ILE . . . 126.74 47.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.657 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -103.15 109.17 20.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD11 ' C' ' 31' ' ' ILE . 1.8 pp -133.71 132.76 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.698 HG22 ' HE1' ' C' ' 19' ' ' PHE . 14.4 tt -154.79 38.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.42 ' O ' HG23 ' B' ' 36' ' ' VAL . . . -99.83 110.71 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.591 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 pt? -53.82 135.59 41.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.33 84.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 33' ' ' GLY . 51.7 t -146.86 140.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.99 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 133.99 8.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.68 149.75 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -121.55 99.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' B' ' 29' ' ' GLY . 21.9 mm -98.85 125.84 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' C ' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.22 100.76 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 101.07 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -104.09 100.41 10.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 101.44 11.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -104.18 107.5 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.7 71.29 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 11.1 t -88.4 106.06 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.52 -174.76 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.14 46.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.354 . . . . 0.0 110.949 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -113.17 36.9 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.92 -35.51 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.95 157.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -113.52 -36.38 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.455 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -105.59 102.25 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.09 118.46 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.458 HD11 HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -120.28 96.0 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.859 HG22 HG12 ' B' ' 18' ' ' VAL . 3.7 m -140.12 -171.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.698 ' HE1' HG22 ' B' ' 32' ' ' ILE . 0.4 OUTLIER -147.96 -42.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' C' ' 24' ' ' VAL . 26.4 m-85 -120.5 141.11 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.66 59.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.31 82.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.761 HG21 ' CE1' ' C' ' 20' ' ' PHE . 7.5 p -96.39 147.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.7 -92.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.38 129.78 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.54 86.25 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.83 63.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 127.47 45.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.666 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -103.81 109.6 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.8 pp -132.54 133.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.649 HG13 HG23 ' B' ' 32' ' ' ILE . 14.0 tt -155.8 38.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.416 ' O ' HG23 ' C' ' 36' ' ' VAL . . . -99.78 111.57 4.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.586 ' HB3' HD21 ' B' ' 34' ' ' LEU . 2.6 pt? -54.12 134.81 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.53 85.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 33' ' ' GLY . 53.5 t -146.51 139.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -111.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.52 133.97 8.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.63 149.88 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.6 99.1 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' C' ' 29' ' ' GLY . 22.5 mm -99.16 125.77 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.549 ' C ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.26 100.75 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.48 101.12 11.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.18 100.46 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.07 101.42 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -104.22 107.52 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.41 36.35 4.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.91 171.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.6 66.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -162.27 -41.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.885 0.374 . . . . 0.0 110.949 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.19 162.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 m -151.15 -178.63 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.97 96.34 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -120.85 168.83 11.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -105.6 101.49 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.78 119.79 37.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' E' ' 32' ' ' ILE . 1.0 OUTLIER -118.21 98.47 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.965 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.831 HG12 HG22 ' E' ' 18' ' ' VAL . 3.2 m -138.91 -171.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.614 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.7 OUTLIER -148.27 -41.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' D' ' 24' ' ' VAL . 29.3 m-85 -119.75 141.07 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.13 60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -74.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.47 81.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' D' ' 20' ' ' PHE . 7.1 p -97.06 146.78 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.06 -92.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -116.72 130.32 56.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.82 86.44 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.03 62.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.7 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 126.44 47.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.614 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -101.0 107.65 19.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.625 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.9 pp -133.75 132.54 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.654 HG22 ' HE1' ' E' ' 19' ' ' PHE . 15.1 tt -154.19 38.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.433 ' O ' HG23 ' D' ' 36' ' ' VAL . . . -99.38 109.67 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' E' ' 34' ' ' LEU . 2.7 pt? -52.78 135.91 34.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 33' ' ' GLY . 49.6 t -147.2 140.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.79 -111.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.72 134.31 8.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.42 149.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.29 99.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.7 HG21 ' HA2' ' D' ' 29' ' ' GLY . 22.2 mm -99.04 126.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.498 ' HB3' ' C ' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.25 100.76 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.51 101.18 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -104.16 100.45 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.09 101.47 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -104.28 107.46 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.56 36.47 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -171.91 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.71 98.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -176.01 175.19 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.334 . . . . 0.0 110.944 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -158.68 160.81 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -55.63 -72.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -76.38 126.21 30.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -155.7 118.37 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.451 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -105.54 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.59 118.8 34.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' F' ' 32' ' ' ILE . 1.0 OUTLIER -119.26 97.86 5.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.843 HG12 HG22 ' F' ' 18' ' ' VAL . 3.2 m -139.38 -171.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.654 ' HE1' HG22 ' D' ' 32' ' ' ILE . 0.4 OUTLIER -148.46 -42.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' E' ' 24' ' ' VAL . 30.3 m-85 -120.26 140.92 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.53 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -169.36 81.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' E' ' 20' ' ' PHE . 7.7 p -96.79 147.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.6 -93.15 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.25 129.88 56.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.84 86.8 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.4 63.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.646 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 126.66 47.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.653 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -103.03 109.12 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' F' ' 31' ' ' ILE . 1.8 pp -133.66 132.83 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.731 HG22 ' HE1' ' F' ' 19' ' ' PHE . 14.5 tt -154.67 38.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.431 ' O ' HG23 ' E' ' 36' ' ' VAL . . . -99.5 111.1 4.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' F' ' 34' ' ' LEU . 2.7 pt? -53.8 135.43 41.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.417 ' CG ' HD11 ' B' ' 34' ' ' LEU . 0.5 OUTLIER 64.96 84.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' E' ' 33' ' ' GLY . 52.0 t -146.82 140.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.93 -111.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 134.01 8.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.6 149.78 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.45 99.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.646 HG21 ' HA2' ' E' ' 29' ' ' GLY . 21.7 mm -98.91 125.89 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.534 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.23 100.78 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 101.13 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -104.15 100.39 10.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.05 101.44 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -104.24 107.53 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -69.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t 52.19 41.15 30.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.04 80.82 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.72 103.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.934 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.72 41.86 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.52 -174.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.81 167.98 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -56.17 -36.15 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.457 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -105.64 101.98 11.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -114.23 118.51 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.47 HD11 HD22 ' E' ' 17' ' ' LEU . 1.0 OUTLIER -120.14 96.55 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.843 HG22 HG12 ' E' ' 18' ' ' VAL . 3.7 m -139.82 -171.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.731 ' HE1' HG22 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -148.02 -42.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' F' ' 24' ' ' VAL . 26.9 m-85 -120.67 140.85 51.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.7 59.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -169.23 82.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' F' ' 20' ' ' PHE . 7.4 p -96.52 147.1 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.62 -92.83 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -117.48 129.87 56.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.815 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.44 86.11 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.87 63.46 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.602 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 127.54 45.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -103.87 109.63 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.8 pp -132.62 133.27 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.663 HG13 HG23 ' E' ' 32' ' ' ILE . 14.2 tt -155.8 38.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' F' ' 36' ' ' VAL . . . -99.79 111.94 4.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.612 ' HB3' HD21 ' E' ' 34' ' ' LEU . 2.6 pt? -54.22 134.8 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 64.2 85.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' F' ' 33' ' ' GLY . 53.3 t -146.4 139.84 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.39 -111.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 133.88 8.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.58 149.85 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.52 99.14 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.602 HG21 ' HA2' ' F' ' 29' ' ' GLY . 22.7 mm -99.23 125.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.534 ' C ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.09 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.69 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.78 102.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.42 100.37 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.56 81.56 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.95 -36.19 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.3 m -117.63 -74.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.42 -101.37 2.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -150.0 -171.28 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -80.24 -172.2 3.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.64 150.68 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -75.49 134.52 40.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.65 -170.02 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' NE2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -123.55 112.12 17.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 121.11 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -125.18 106.72 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.92 144.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -95.78 159.31 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 60.54 175.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.95 -36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.51 35.75 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.21 150.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG22 HG12 ' B' ' 24' ' ' VAL . 3.0 m -141.82 179.58 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.63 -71.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.56 131.75 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.77 83.65 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.39 66.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.492 ' CA ' HG21 ' A' ' 41' ' ' ILE . . . 126.23 35.63 0.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -78.22 101.17 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD11 ' B' ' 31' ' ' ILE . 1.8 pp -130.43 135.42 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' B' ' 32' ' ' ILE . 19.7 tt -152.73 42.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.83 -120.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HG3' ' D' ' 35' ' ' MET . 2.4 tp -175.26 111.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.537 ' HE3' HD13 ' D' ' 34' ' ' LEU . 0.5 OUTLIER 64.17 35.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' B' ' 36' ' ' VAL . 21.2 t -61.63 150.42 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.84 12.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.895 HG23 HG13 ' B' ' 39' ' ' VAL . 5.0 p -177.93 123.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.27 129.86 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.492 HG21 ' CA ' ' A' ' 29' ' ' GLY . 2.5 mt -130.31 133.94 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.4 101.14 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.77 100.75 10.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -102.77 102.57 12.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.45 100.41 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -124.58 81.63 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.8 t -179.22 -74.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.39 -129.51 5.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -154.58 45.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.05 113.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -151.93 70.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -168.95 163.53 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -108.15 -51.02 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' B' ' 17' ' ' LEU . 0.0 OUTLIER -123.72 111.46 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 120.45 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.571 HD22 HD11 ' C' ' 17' ' ' LEU . 0.7 OUTLIER -125.54 106.27 9.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 18' ' ' VAL . 3.6 p -160.42 143.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.68 ' CD2' ' HB1' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -95.09 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.13 174.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.6 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.18 35.39 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.61 150.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 24' ' ' VAL . 3.0 m -141.92 -179.95 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 -72.32 1.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 131.21 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.56 83.62 3.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.25 67.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.463 ' N ' HG21 ' B' ' 41' ' ' ILE . . . 125.86 34.53 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.68 ' HB1' ' CD2' ' B' ' 19' ' ' PHE . . . -79.12 102.46 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.599 HD11 ' HB ' ' A' ' 31' ' ' ILE . 1.7 pp -130.01 135.79 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 17' ' ' LEU . 19.2 tt -152.37 41.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.87 -120.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.785 HD22 ' HG3' ' E' ' 35' ' ' MET . 2.3 tp -175.42 111.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.684 ' HG3' HD22 ' D' ' 34' ' ' LEU . 0.6 OUTLIER 63.94 35.15 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.498 ' HB ' HG13 ' A' ' 36' ' ' VAL . 21.1 t -61.19 150.93 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 78.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 157.83 11.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.895 HG13 HG23 ' A' ' 39' ' ' VAL . 4.9 p -177.91 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.11 130.06 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.463 HG21 ' N ' ' B' ' 29' ' ' GLY . 2.5 mt -130.0 133.89 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.43 101.14 11.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.8 10.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.77 102.53 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -103.55 100.47 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -124.64 81.57 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.96 59.26 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 137.91 42.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.29 115.48 7.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -52.22 161.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 61.71 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -80.98 136.47 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -77.74 143.27 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -120.28 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.429 ' NE2' HD13 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -123.95 111.6 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.81 119.28 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.571 HD11 HD22 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -127.98 105.82 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.457 ' O ' HG23 ' B' ' 18' ' ' VAL . 4.3 p -161.41 143.84 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -95.06 158.52 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.98 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.96 35.69 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.83 150.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.417 HG12 HG22 ' B' ' 24' ' ' VAL . 2.9 m -141.84 179.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 -72.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.84 131.18 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.71 82.83 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.0 68.12 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.477 ' N ' HG21 ' C' ' 41' ' ' ILE . . . 125.48 33.14 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.7 ' HB1' ' CD2' ' C' ' 19' ' ' PHE . . . -79.42 103.51 9.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.297 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.575 HD11 ' HB ' ' B' ' 31' ' ' ILE . 1.7 pp -130.22 136.28 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.691 HG13 HG23 ' B' ' 32' ' ' ILE . 19.0 tt -152.95 40.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.07 -121.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' F' ' 35' ' ' MET . 2.4 tp -175.84 110.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.702 ' HG3' HD22 ' E' ' 34' ' ' LEU . 0.4 OUTLIER 63.91 34.83 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' B' ' 36' ' ' VAL . 20.7 t -61.07 151.58 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.95 79.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.25 158.02 12.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.84 HG13 HG23 ' B' ' 39' ' ' VAL . 5.0 p -177.99 123.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.63 130.42 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.477 HG21 ' N ' ' C' ' 29' ' ' GLY . 2.5 mt -130.34 133.77 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.84 0.353 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.14 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.81 100.76 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.77 102.57 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.51 100.38 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -124.63 81.66 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.87 -37.78 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.61 -46.5 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.9 -107.11 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -155.16 121.14 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.96 151.12 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 91.8 t -115.58 -71.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 73.9 m80 53.37 89.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -123.49 112.47 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 121.26 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.705 ' HB3' HD11 ' E' ' 32' ' ' ILE . 0.7 OUTLIER -124.78 106.54 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -160.61 144.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -95.04 159.61 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 61.17 175.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.51 -36.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -125.31 35.22 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 65.15 150.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.461 HG22 HG12 ' E' ' 24' ' ' VAL . 3.0 m -141.9 179.12 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.69 -71.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.2 131.6 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.31 83.83 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.59 67.19 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.497 ' CA ' HG21 ' D' ' 41' ' ' ILE . . . 126.28 35.76 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' D' ' 19' ' ' PHE . . . -78.56 100.8 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.325 . . . . 0.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' E' ' 31' ' ' ILE . 1.8 pp -130.35 135.53 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.688 HG23 HG13 ' E' ' 32' ' ' ILE . 19.8 tt -153.2 43.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.59 -119.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' B' ' 35' ' ' MET . 2.4 tp -174.73 111.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.601 ' HG3' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.77 35.37 11.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' E' ' 36' ' ' VAL . 21.2 t -61.21 150.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.28 79.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.16 158.06 12.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.948 HG23 HG13 ' E' ' 39' ' ' VAL . 4.8 p -177.77 123.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -116.34 129.71 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.497 HG21 ' CA ' ' D' ' 29' ' ' GLY . 2.5 mt -130.47 134.13 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.45 101.15 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.82 100.71 10.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -102.72 102.49 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -103.42 100.39 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -124.63 81.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -97.99 67.6 1.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 p -172.49 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.08 -148.97 32.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -172.74 49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.47 ' CG ' HG23 ' E' ' 12' ' ' VAL . 0.2 OUTLIER -158.97 -169.98 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' F' ' 13' ' ' HIS . 21.9 t 63.63 67.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -178.9 37.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -68.2 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.417 ' NE2' HD13 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -123.6 111.56 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.88 120.29 36.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.599 HD11 HD22 ' D' ' 17' ' ' LEU . 0.7 OUTLIER -125.59 106.42 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' F' ' 18' ' ' VAL . 3.8 p -160.35 143.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.679 ' CD2' ' HB1' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -95.03 158.53 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.14 174.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.53 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -125.95 35.35 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.42 150.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.461 HG12 HG22 ' D' ' 24' ' ' VAL . 3.0 m -141.87 -179.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 -72.19 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.68 131.32 29.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.52 83.57 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.28 67.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.479 ' CA ' HG21 ' E' ' 41' ' ' ILE . . . 125.81 34.49 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' CD2' ' E' ' 19' ' ' PHE . . . -79.11 102.3 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' D' ' 31' ' ' ILE . 1.7 pp -130.04 135.71 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' D' ' 17' ' ' LEU . 19.3 tt -152.37 41.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.64 -120.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.702 HD22 ' HG3' ' C' ' 35' ' ' MET . 2.5 tp -175.15 111.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.785 ' HG3' HD22 ' B' ' 34' ' ' LEU . 0.4 OUTLIER 63.81 35.29 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' D' ' 36' ' ' VAL . 21.0 t -61.25 150.84 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.11 79.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.84 157.97 11.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.948 HG13 HG23 ' D' ' 39' ' ' VAL . 4.9 p -177.96 123.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.07 129.97 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.479 HG21 ' CA ' ' E' ' 29' ' ' GLY . 2.5 mt -130.19 133.88 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.804 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.41 101.13 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.81 100.83 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.73 102.51 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -103.52 100.43 10.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -124.54 81.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.83 86.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.04 112.24 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.12 93.93 0.16 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -134.21 164.39 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.15 36.33 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -166.89 128.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.733 ' HB3' HG13 ' E' ' 12' ' ' VAL . 25.2 p-80 -174.93 -172.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.36 -75.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' F' ' 17' ' ' LEU . 0.0 OUTLIER -124.02 111.71 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.1 119.03 32.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.597 HD11 HD22 ' E' ' 17' ' ' LEU . 0.7 OUTLIER -127.91 105.59 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.455 ' O ' HG23 ' E' ' 18' ' ' VAL . 4.3 p -161.36 143.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.697 ' CD2' ' HB1' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -94.87 158.51 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 60.03 173.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.49 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.84 35.68 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 65.78 150.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.437 HG12 HG22 ' E' ' 24' ' ' VAL . 2.9 m -141.85 179.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.26 -72.25 1.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.81 131.24 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.8 82.91 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -101.09 68.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.478 ' N ' HG21 ' F' ' 41' ' ' ILE . . . 125.61 33.08 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.697 ' HB1' ' CD2' ' F' ' 19' ' ' PHE . . . -79.42 103.4 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.618 HD11 ' HB ' ' E' ' 31' ' ' ILE . 1.7 pp -130.25 136.53 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.698 HG13 HG23 ' E' ' 32' ' ' ILE . 18.9 tt -153.09 40.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.98 -121.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -175.61 110.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.64 ' HG3' HD22 ' C' ' 34' ' ' LEU . 0.5 OUTLIER 63.81 34.79 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.501 ' HB ' HG13 ' E' ' 36' ' ' VAL . 20.6 t -60.95 151.4 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.86 79.17 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.21 158.13 13.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.874 HG13 HG23 ' E' ' 39' ' ' VAL . 5.1 p -177.92 123.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.164 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.69 130.32 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.478 HG21 ' N ' ' F' ' 29' ' ' GLY . 2.5 mt -130.27 133.93 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.784 . . . . . . . . 0 0 . 1 stop_ save_