data_6q1x_residue ############################ # Computer software used # ############################ 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 6q1x _Structure_validation_residue.Date_analyzed 2019-11-29 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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.25 -46.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 63.42 111.141 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 tp 179.27 139.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.893 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.5 -133.17 4.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 73.35 112.453 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -135.26 -61.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 75.35 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.41 177.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.9 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.24 117.15 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.84 -17.04 61.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.06 -18.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 72.11 112.471 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mm -89.22 164.1 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 75.32 111.152 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.5 m -95.87 -16.95 21.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 63.34 111.168 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.24 168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.97 -59.28 2.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.699 . . . . 73.32 110.918 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.81 96.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.658 2.239 . . . . 71.11 112.321 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.61 165.54 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.52 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.0 t -69.27 152.22 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 71.34 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -62.49 169.31 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.5 tttt -67.69 -58.78 7.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.707 . . . . 73.23 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.4 Cg_endo -69.69 -47.49 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 72.15 112.364 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.087 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.507 -0.237 . . . . 74.31 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.3 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 63.42 111.186 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 tp 179.24 137.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.2 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.47 -134.1 4.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 73.35 112.494 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -134.73 -60.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 75.35 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.57 177.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.843 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.53 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.22 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.6 -17.54 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.893 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.39 -18.6 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 72.11 112.496 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.8 164.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 75.32 111.135 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m -95.84 -17.04 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.18 168.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.968 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.99 -59.31 2.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 73.32 110.904 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.3 Cg_endo -69.83 96.71 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 71.11 112.327 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.51 165.64 16.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.19 153.72 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.887 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -63.12 170.83 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.837 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 8.7 ttpp -67.95 -58.96 7.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 73.23 110.874 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.0 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 72.15 112.346 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 73.31 111.144 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 74.31 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.42 -46.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 63.42 111.134 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 tp 179.25 138.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.35 -139.75 8.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 73.35 112.517 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -128.87 -60.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 75.35 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.864 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.09 116.84 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.22 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.13 -16.95 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.896 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -18.34 0.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 72.11 112.503 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.14 163.85 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.32 111.133 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.0 m -95.33 -16.79 22.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 63.34 111.119 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mt -51.28 168.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.12 -59.4 2.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 73.32 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.6 Cg_endo -69.79 96.57 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 71.11 112.318 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.35 163.97 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.891 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.76 154.07 40.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -66.72 164.04 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.0 ttpt -68.15 -58.67 7.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 73.23 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.2 Cg_endo -69.65 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 72.15 112.364 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.117 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.454 -0.258 . . . . 74.31 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -153.43 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 63.42 111.13 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.8 tp 179.76 141.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.08 -126.86 2.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 73.35 112.53 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -142.46 -57.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 75.35 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.25 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.831 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.0 115.49 21.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.24 -17.94 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.928 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.26 -17.38 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 72.11 112.538 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.33 163.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 75.32 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 m -95.31 -16.29 22.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 63.34 111.152 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt -51.45 168.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -72.83 -59.33 2.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 73.32 110.925 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.75 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 71.11 112.348 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.84 161.39 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.932 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.94 171.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.879 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -83.65 172.81 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.858 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.2 ttmt -68.54 -59.3 5.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 73.23 110.945 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.72 -17.41 37.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 72.15 112.404 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 111.115 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.37 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 63.42 111.149 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.3 tp 179.34 139.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.2 110.936 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.69 -134.98 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 73.35 112.489 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -133.67 -59.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 75.35 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -55.89 178.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.19 116.95 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.22 111.092 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.9 -17.78 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.905 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.9 -18.19 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 72.11 112.464 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.23 163.97 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 75.32 111.083 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -95.65 -16.53 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.34 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.36 169.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.901 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.07 -59.43 2.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.645 0.736 . . . . 73.32 110.877 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.72 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 71.11 112.339 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.58 163.45 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.52 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.77 156.91 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.49 169.36 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 tttt -67.75 -58.87 7.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 73.23 110.836 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.71 -40.93 4.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 72.15 112.348 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 73.31 111.171 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.47 -0.252 . . . . 74.31 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.28 -46.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 63.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 tp 179.36 138.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.98 -141.8 10.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 73.35 112.423 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.56 -60.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 75.35 110.903 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -52.23 171.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 74.31 110.871 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.57 116.56 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.1 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.91 -17.74 62.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.44 -18.51 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 72.11 112.506 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.14 164.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 75.32 111.134 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 m -95.21 -17.61 21.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.34 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mt -51.1 168.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.952 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.19 -59.38 2.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.697 . . . . 73.32 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.76 96.96 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 71.11 112.354 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -121.99 163.73 18.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.957 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.18 151.33 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.16 162.29 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.841 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 9.8 tttt -69.16 -58.77 5.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 73.23 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.75 -6.75 19.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 72.15 112.318 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.31 111.159 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.1 -44.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 63.42 111.14 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 tp 179.16 130.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.872 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 -125.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 73.35 112.476 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -142.43 -64.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 75.35 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -173.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.43 115.66 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.8 -17.22 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 75.51 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.45 -17.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 72.11 112.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.83 164.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 75.32 111.113 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -94.99 -16.61 22.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.175 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.28 168.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.94 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.04 -59.32 2.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 73.32 110.925 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.9 Cg_endo -69.74 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.721 2.28 . . . . 71.11 112.362 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -121.93 161.6 22.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.62 162.23 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.97 171.03 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 22.6 tttt -68.47 -58.68 6.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 73.23 110.886 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.74 -11.98 32.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 72.15 112.337 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.138 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 74.31 112.46 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.14 -46.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 63.42 111.125 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 tp 177.79 132.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 75.2 110.942 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.91 -119.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.796 -0.716 . . . . 73.35 112.501 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -151.91 -74.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 75.35 110.898 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -87.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.811 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 177.92 166.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -119.41 -10.81 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.888 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.8 -24.3 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 72.11 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mm -88.76 166.63 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 75.32 111.11 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -101.06 -15.87 17.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 63.34 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.9 168.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.932 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.8 -59.38 3.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 73.32 110.961 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.232 . . . . 71.11 112.348 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 1.1 mm? -117.85 179.27 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.52 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 175.63 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -66.23 170.65 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 71.33 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.1 ttpp -64.33 -58.58 13.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 73.23 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.77 -43.86 2.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 72.15 112.352 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.111 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.439 -0.264 . . . . 74.31 112.439 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -154.32 -46.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 63.42 111.109 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 tp 177.94 132.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.9 -119.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 73.35 112.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -152.15 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 75.35 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.58 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.843 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 178.12 166.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -119.47 -10.83 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.905 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.01 -23.48 1.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 72.11 112.46 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mm -90.05 167.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 75.32 111.176 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -101.87 -15.78 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 63.34 111.111 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.08 168.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.896 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.53 -59.35 3.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 73.32 110.937 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.7 Cg_endo -69.74 86.83 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.742 2.294 . . . . 71.11 112.325 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 1.1 mm? -118.0 178.91 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.52 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 174.73 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.7 169.59 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 3.6 tttp -65.59 -58.61 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 73.23 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.81 -40.63 5.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 72.15 112.345 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.156 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.245 . . . . 74.31 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.66 -46.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 63.42 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp 178.21 138.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.918 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.27 -131.94 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.737 . . . . 73.35 112.458 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.17 -60.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 75.35 110.868 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.32 179.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.877 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.76 125.59 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.22 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -82.73 1.03 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.871 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.04 19.87 1.72 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.434 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.37 150.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 75.32 111.108 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -77.1 -21.99 53.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 63.34 111.14 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.39 161.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.916 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -75.27 -59.87 1.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 73.32 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.73 93.14 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.254 . . . . 71.11 112.403 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.76 169.73 10.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 72.52 110.944 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 t -69.03 162.53 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.86 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -67.55 170.54 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 11.1 ttpt -67.89 -58.8 7.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 73.23 110.939 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.8 -21.6 33.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 72.15 112.316 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.178 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 74.31 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -153.48 -46.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 63.42 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp 178.91 139.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.2 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.2 -137.48 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 73.35 112.486 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -131.65 -58.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 75.35 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.07 179.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.32 125.58 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.155 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -83.5 0.95 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.05 19.85 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 72.11 112.515 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.51 150.46 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 75.32 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 m -77.32 -21.97 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.7 mt -46.48 161.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -74.89 -59.89 1.33 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.6 Cg_endo -69.77 93.33 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.63 2.22 . . . . 71.11 112.363 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.3 168.78 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 72.52 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.82 159.92 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.835 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.41 168.1 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -68.4 -58.59 7.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 73.23 110.85 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.2 Cg_endo -69.76 -23.72 30.47 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 72.15 112.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.5 mm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.123 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 74.31 112.494 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -154.3 -47.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 63.42 111.125 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 tp 176.13 132.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.943 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.87 -121.71 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 73.35 112.472 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -152.23 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 75.35 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.63 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.828 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . . . 176.02 168.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 75.22 111.11 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -122.63 -7.49 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.92 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -23.33 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 72.11 112.471 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mm -89.97 167.13 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 75.32 111.138 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.6 m -101.14 -16.38 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.34 111.125 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mt -50.75 167.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.99 -59.48 3.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.551 0.691 . . . . 73.32 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.68 85.45 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.259 . . . . 71.11 112.326 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 0.8 OUTLIER -115.91 178.77 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.52 110.928 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -98.54 166.96 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.905 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 31.7 m-85 -62.46 169.77 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.882 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -73.33 -58.24 2.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.536 0.684 . . . . 73.23 110.905 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.9 Cg_endo -69.76 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 72.15 112.33 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 37.7 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.124 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 74.31 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.91 -47.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 63.42 111.08 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 tp 174.29 136.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.95 -112.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 73.35 112.479 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -148.74 -75.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 75.35 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.2 -81.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.31 110.883 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -179.08 162.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.096 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -105.63 -21.8 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.889 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -29.34 1.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 72.11 112.474 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 mm -67.32 158.27 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 75.32 111.152 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -52.88 -28.2 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.34 111.148 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.22 141.66 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.885 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.64 -57.88 0.58 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 73.32 110.927 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.3 Cg_endo -69.83 83.62 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 71.11 112.34 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -135.26 -166.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -43.94 155.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.895 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -63.57 167.89 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 tttp -67.05 -58.41 9.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.532 0.682 . . . . 73.23 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.77 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.653 2.235 . . . . 72.15 112.383 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.133 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -153.07 -44.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 63.42 111.16 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.6 tp 179.48 138.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.2 110.952 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.21 -137.04 6.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.484 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -133.13 -57.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 75.35 110.883 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.23 -179.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.62 127.06 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.66 5.82 34.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.883 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.77 20.79 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 72.11 112.47 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.79 162.33 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 75.32 111.121 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -90.41 -21.9 21.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 63.34 111.128 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -51.12 161.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 74.22 110.907 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.25 -59.51 2.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.702 . . . . 73.32 110.853 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.9 Cg_endo -69.75 94.68 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 71.11 112.344 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -123.66 173.5 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.952 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.39 157.03 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.891 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.96 170.05 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.4 tttm -67.97 -58.9 7.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 73.23 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.76 -48.42 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.746 2.297 . . . . 72.15 112.331 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.31 111.146 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.53 -0.228 . . . . 74.31 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.11 -47.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 63.42 111.152 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 tp 176.73 131.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.2 110.866 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 -118.48 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 73.35 112.528 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -157.97 -71.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 75.35 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.98 -88.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.825 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 176.17 165.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -121.28 -8.54 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.859 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.21 -22.13 2.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 72.11 112.461 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mm -91.13 166.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 75.32 111.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -100.27 -15.68 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.124 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -51.03 167.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -71.36 -59.62 3.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 73.32 110.936 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 86.51 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.619 2.213 . . . . 71.11 112.391 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -177.22 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.52 110.922 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -95.17 -176.13 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -80.29 172.85 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 tttp -73.9 -58.58 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 73.23 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.79 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 72.15 112.344 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 74.31 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.93 -46.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 63.42 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp 174.8 136.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.944 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.93 -114.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.516 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -143.89 -75.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 75.35 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.31 -80.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.849 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.01 163.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.22 111.085 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.84 -22.19 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 75.51 110.916 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.39 -28.34 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 72.11 112.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.97 158.34 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 75.32 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -53.25 -27.61 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 63.34 111.151 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.78 142.24 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.65 -57.99 0.57 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 73.32 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.75 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 71.11 112.344 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -135.76 -167.76 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.914 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 t -44.64 154.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.847 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -57.74 170.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.8 tttm -68.06 -58.22 8.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 73.23 110.887 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.3 Cg_endo -69.84 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 72.15 112.318 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 73.31 111.116 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.91 -47.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 63.42 111.13 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.5 tp 174.81 135.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 75.2 110.911 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.27 -114.89 0.43 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 73.35 112.5 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.53 -68.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 75.35 110.918 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -79.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.895 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.72 162.86 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.111 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.08 -21.81 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.82 -29.28 1.98 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 72.11 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.1 158.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 75.32 111.121 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -52.67 -28.58 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 63.34 111.099 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.67 142.87 56.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -81.78 -58.06 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 73.32 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.75 83.2 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.742 2.294 . . . . 71.11 112.333 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -135.2 -167.79 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.925 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 t -45.99 152.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -54.49 169.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.922 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 ttpp -66.87 -57.91 10.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 73.23 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 72.15 112.311 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.142 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 74.31 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 m -154.16 -46.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 63.42 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp 177.78 132.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.942 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 -121.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.35 112.502 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -151.46 -73.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 75.35 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.54 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.902 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 177.82 167.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -121.19 -9.38 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.874 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -24.01 1.87 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 72.11 112.464 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mm -89.45 166.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 75.32 111.155 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -101.22 -16.03 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 63.34 111.108 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -50.76 168.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.66 -59.4 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.654 0.74 . . . . 73.32 110.943 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.75 2.3 . . . . 71.11 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 1.0 OUTLIER -117.47 179.81 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.898 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.55 174.45 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.85 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -65.94 169.82 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.45 -58.62 6.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 73.23 110.907 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.76 -16.19 37.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 72.15 112.356 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.122 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.25 -46.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 63.42 111.141 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 tp 179.27 139.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.893 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.5 -133.17 4.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 73.35 112.453 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -135.26 -61.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 75.35 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.41 177.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.9 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.24 117.15 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.84 -17.04 61.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.06 -18.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 72.11 112.471 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mm -89.22 164.1 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 75.32 111.152 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.5 m -95.87 -16.95 21.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 63.34 111.168 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.24 168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.97 -59.28 2.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.699 . . . . 73.32 110.918 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.81 96.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.658 2.239 . . . . 71.11 112.321 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.61 165.54 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.52 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.425 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 23.0 t -69.27 152.22 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 71.34 110.87 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -62.49 169.31 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.5 tttt -67.69 -58.78 7.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.707 . . . . 73.23 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.4 Cg_endo -69.69 -47.49 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 72.15 112.364 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.6 mm -53.95 -29.9 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.087 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.425 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 47.8 m -138.95 92.74 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.7 mt -104.69 133.07 20.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 73.33 111.111 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.615 2.21 . . . . 74.55 112.392 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -61.04 -22.47 64.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 74.35 111.145 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.39 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 74.22 110.94 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.75 23.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 74.44 112.349 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.25 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 72.55 112.343 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -121.04 46.03 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -106.88 -29.46 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.178 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 19.68 50.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 73.34 112.511 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 19.75 38.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.523 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -87.14 -59.74 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 74.11 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.118 179.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.507 -0.237 . . . . 74.31 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.3 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 63.42 111.186 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 tp 179.24 137.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.2 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.47 -134.1 4.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 73.35 112.494 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -134.73 -60.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 75.35 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.57 177.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.843 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.53 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.22 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.6 -17.54 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.893 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.39 -18.6 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 72.11 112.496 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.8 164.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 75.32 111.135 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m -95.84 -17.04 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -51.18 168.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.968 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.99 -59.31 2.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 73.32 110.904 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.3 Cg_endo -69.83 96.71 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 71.11 112.327 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.51 165.64 16.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.19 153.72 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.887 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -63.12 170.83 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.837 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 8.7 ttpp -67.95 -58.96 7.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 73.23 110.874 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.0 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 72.15 112.346 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -53.02 -30.01 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 73.31 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -139.04 92.88 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.887 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.2 mt -101.07 133.01 21.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 73.33 111.163 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.15 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.638 2.226 . . . . 74.55 112.375 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -64.27 -21.2 66.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 74.35 111.184 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.45 160.68 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 74.22 110.918 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 167.77 23.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 74.44 112.334 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.92 4.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 72.55 112.385 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.94 59.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -118.52 -34.61 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 72.31 111.131 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.92 -18.91 60.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -34.41 87.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 75.03 112.451 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -100.02 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 74.11 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.05 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 74.31 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.42 -46.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 63.42 111.134 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 tp 179.25 138.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.35 -139.75 8.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 73.35 112.517 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -128.87 -60.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 75.35 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.864 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.09 116.84 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.22 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.13 -16.95 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.896 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -18.34 0.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 72.11 112.503 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.14 163.85 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.32 111.133 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.0 m -95.33 -16.79 22.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 63.34 111.119 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mt -51.28 168.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.12 -59.4 2.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 73.32 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.6 Cg_endo -69.79 96.57 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 71.11 112.318 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.35 163.97 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.891 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.76 154.07 40.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -66.72 164.04 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.0 ttpt -68.15 -58.67 7.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 73.23 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.2 Cg_endo -69.65 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 72.15 112.364 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.61 -23.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.117 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -143.42 104.59 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.868 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.6 mt -117.82 133.02 23.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.65 0.738 . . . . 73.33 111.128 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -40.84 4.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 74.55 112.295 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 m -53.55 -25.73 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 74.35 111.165 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 mt -52.92 157.31 2.86 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.62 0.724 . . . . 74.22 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.69 23.76 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.64 2.227 . . . . 74.44 112.341 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -178.43 2.32 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.69 2.26 . . . . 72.55 112.355 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.94 48.27 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.899 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.53 31.82 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.06 61.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 73.34 112.519 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.52 47.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 75.03 112.539 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -140.34 122.62 15.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 74.11 110.884 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.086 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.454 -0.258 . . . . 74.31 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -153.43 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 63.42 111.13 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.8 tp 179.76 141.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.08 -126.86 2.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 73.35 112.53 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -142.46 -57.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 75.35 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.25 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.831 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.0 115.49 21.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.24 -17.94 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.928 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.26 -17.38 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 72.11 112.538 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.33 163.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 75.32 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 m -95.31 -16.29 22.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 63.34 111.152 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt -51.45 168.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -72.83 -59.33 2.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 73.32 110.925 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.75 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 71.11 112.348 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.84 161.39 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.932 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.94 171.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.879 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -83.65 172.81 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.858 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.2 ttmt -68.54 -59.3 5.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 73.23 110.945 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.72 -17.41 37.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 72.15 112.404 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -95.81 151.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.7 m 58.97 61.39 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.864 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.6 mt -96.97 133.04 24.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 73.33 111.173 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.12 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.658 2.239 . . . . 74.55 112.346 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 p -62.94 -22.17 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.35 111.161 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.08 159.72 0.11 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.632 0.73 . . . . 74.22 110.864 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 167.74 23.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 74.44 112.353 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -172.58 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 72.55 112.368 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -132.4 30.84 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.903 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 p -123.17 71.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.138 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.04 -24.19 4.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.14 65.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.479 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -74.29 -26.27 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.333 . . . . 74.11 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.44 111.13 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.37 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 63.42 111.149 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.3 tp 179.34 139.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.2 110.936 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.69 -134.98 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 73.35 112.489 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -133.67 -59.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 75.35 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -55.89 178.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.19 116.95 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.22 111.092 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.9 -17.78 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.905 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.9 -18.19 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 72.11 112.464 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.23 163.97 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 75.32 111.083 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -95.65 -16.53 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.34 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.36 169.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.901 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.07 -59.43 2.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.645 0.736 . . . . 73.32 110.877 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.72 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 71.11 112.339 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.58 163.45 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.52 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.77 156.91 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.49 169.36 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 tttt -67.75 -58.87 7.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 73.23 110.836 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.71 -40.93 4.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 72.15 112.348 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 mm -63.77 -25.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 73.31 111.171 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -143.23 94.87 2.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.837 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.2 mt -95.07 131.59 29.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 73.33 111.136 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -32.11 18.86 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.695 2.263 . . . . 74.55 112.334 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -53.49 -23.98 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.148 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.0 160.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 74.22 110.899 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.75 23.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 74.44 112.397 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.239 . . . . 72.55 112.354 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 tp -116.56 27.35 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 74.45 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 72.31 111.172 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.22 -19.31 51.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 73.34 112.53 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.11 48.98 0.88 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 75.03 112.506 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -81.19 79.98 7.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 74.11 110.833 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.093 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.47 -0.252 . . . . 74.31 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.28 -46.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 63.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 tp 179.36 138.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.98 -141.8 10.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 73.35 112.423 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.56 -60.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 75.35 110.903 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -52.23 171.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 74.31 110.871 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.57 116.56 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.1 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.91 -17.74 62.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.44 -18.51 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 72.11 112.506 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.14 164.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 75.32 111.134 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 m -95.21 -17.61 21.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.34 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mt -51.1 168.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.952 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.19 -59.38 2.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.697 . . . . 73.32 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.76 96.96 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 71.11 112.354 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -121.99 163.73 18.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.957 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.18 151.33 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.16 162.29 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.841 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 9.8 tttt -69.16 -58.77 5.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 73.23 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.75 -6.75 19.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 72.15 112.318 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.73 -23.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.31 111.159 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -132.13 100.61 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.905 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.9 mm -133.53 131.64 21.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 73.33 111.107 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.08 6.87 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 74.55 112.365 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -67.74 -15.88 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 74.35 111.172 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 mt -91.09 157.11 43.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 74.22 110.9 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.64 23.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 74.44 112.367 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -172.28 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.257 . . . . 72.55 112.389 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 pp -112.0 -32.85 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 72.31 111.151 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -20.59 75.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 73.34 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.05 -39.68 70.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 75.03 112.497 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -105.4 147.5 28.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 74.11 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.115 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.1 -44.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 63.42 111.14 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 tp 179.16 130.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.872 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 -125.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 73.35 112.476 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -142.43 -64.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 75.35 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -173.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.43 115.66 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.8 -17.22 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 75.51 110.888 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.45 -17.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 72.11 112.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.83 164.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 75.32 111.113 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -94.99 -16.61 22.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.175 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.28 168.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.94 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.04 -59.32 2.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 73.32 110.925 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.9 Cg_endo -69.74 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.721 2.28 . . . . 71.11 112.362 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -121.93 161.6 22.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.62 162.23 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.97 171.03 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 22.6 tttt -68.47 -58.68 6.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 73.23 110.886 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.74 -11.98 32.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 72.15 112.337 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -106.85 153.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.138 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.5 m 60.16 59.65 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.9 mt -111.87 133.11 21.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 73.33 111.097 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 74.55 112.344 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.0 p -66.89 -19.75 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.162 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.17 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 74.22 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.267 . . . . 74.44 112.331 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -166.69 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 72.55 112.35 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.98 31.93 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.888 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.5 m -80.57 -28.86 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 72.31 111.145 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.0 19.32 41.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 73.34 112.478 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.42 -25.77 5.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 75.03 112.499 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 74.11 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 74.31 112.46 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.14 -46.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 63.42 111.125 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 tp 177.79 132.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 75.2 110.942 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.91 -119.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.796 -0.716 . . . . 73.35 112.501 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -151.91 -74.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 75.35 110.898 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.01 -87.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.811 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 177.92 166.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -119.41 -10.81 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.888 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.8 -24.3 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 72.11 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mm -88.76 166.63 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 75.32 111.11 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -101.06 -15.87 17.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 63.34 111.164 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.9 168.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.932 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.8 -59.38 3.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 73.32 110.961 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.232 . . . . 71.11 112.348 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 1.1 mm? -117.85 179.27 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.52 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 175.63 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -66.23 170.65 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 71.33 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.1 ttpp -64.33 -58.58 13.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 73.23 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.77 -43.86 2.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 72.15 112.352 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.84 150.13 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m 61.16 52.82 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.23 133.07 94.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 73.33 111.144 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.39 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 74.55 112.326 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.56 19.81 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 74.35 111.16 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.93 160.75 0.12 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 74.22 110.892 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.64 23.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 74.44 112.308 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -175.26 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 72.55 112.356 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt 55.94 56.31 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.926 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.28 24.22 11.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 72.31 111.123 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.17 18.5 5.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 73.34 112.485 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.48 -67.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 75.03 112.496 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -51.99 -30.2 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 74.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.44 111.138 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.439 -0.264 . . . . 74.31 112.439 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -154.32 -46.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 63.42 111.109 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 tp 177.94 132.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.9 -119.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 73.35 112.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -152.15 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 75.35 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.58 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.843 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 178.12 166.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -119.47 -10.83 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.905 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.01 -23.48 1.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 72.11 112.46 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mm -90.05 167.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 75.32 111.176 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -101.87 -15.78 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 63.34 111.111 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.08 168.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.896 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.53 -59.35 3.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 73.32 110.937 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.7 Cg_endo -69.74 86.83 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.742 2.294 . . . . 71.11 112.325 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 1.1 mm? -118.0 178.91 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.52 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 174.73 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.7 169.59 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 3.6 tttp -65.59 -58.61 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 73.23 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.81 -40.63 5.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 72.15 112.345 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -75.05 153.81 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.156 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.1 m 59.83 60.59 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.875 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.0 mt -77.25 132.04 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 73.33 111.163 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 74.55 112.324 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -25.18 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 74.35 111.184 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.18 159.18 78.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 74.22 110.966 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.71 23.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.753 2.302 . . . . 74.44 112.308 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.82 5.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 72.55 112.333 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.97 41.75 8.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -56.16 -31.55 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 72.31 111.112 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.08 -19.6 46.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 73.34 112.528 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.89 -87.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 75.03 112.466 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -97.55 117.76 32.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 74.11 110.878 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.44 111.108 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.245 . . . . 74.31 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.66 -46.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 63.42 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp 178.21 138.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.918 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.27 -131.94 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.737 . . . . 73.35 112.458 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.17 -60.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 75.35 110.868 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.32 179.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.877 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.76 125.59 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.22 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -82.73 1.03 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.871 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.04 19.87 1.72 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.434 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.37 150.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 75.32 111.108 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -77.1 -21.99 53.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 63.34 111.14 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.39 161.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.916 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -75.27 -59.87 1.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 73.32 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.73 93.14 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.254 . . . . 71.11 112.403 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.76 169.73 10.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 72.52 110.944 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.367 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.6 t -69.03 162.53 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.86 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -67.55 170.54 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 11.1 ttpt -67.89 -58.8 7.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 73.23 110.939 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.8 -21.6 33.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 72.15 112.316 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -96.23 155.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.367 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 33.3 m 63.41 52.99 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.925 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mt -90.84 132.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 73.33 111.144 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.46 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 74.55 112.316 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -71.45 -16.89 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.35 111.138 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.37 160.7 0.12 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 74.22 110.904 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.72 23.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 74.44 112.373 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -178.83 2.51 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.687 2.258 . . . . 72.55 112.389 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -118.8 54.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.897 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -93.84 -32.94 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.31 111.166 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -22.82 46.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 73.34 112.46 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.52 -62.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.03 112.438 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -95.98 136.06 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 74.11 110.8 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.052 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 74.31 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -153.48 -46.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 63.42 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp 178.91 139.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.2 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.2 -137.48 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 73.35 112.486 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -131.65 -58.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 75.35 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.07 179.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.32 125.58 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.155 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -83.5 0.95 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.05 19.85 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 72.11 112.515 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -131.51 150.46 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 75.32 111.128 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 m -77.32 -21.97 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.7 mt -46.48 161.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -74.89 -59.89 1.33 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.6 Cg_endo -69.77 93.33 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.63 2.22 . . . . 71.11 112.363 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.3 168.78 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 72.52 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.82 159.92 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.835 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.41 168.1 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -68.4 -58.59 7.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 73.23 110.85 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.2 Cg_endo -69.76 -23.72 30.47 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 72.15 112.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.5 mm -82.59 -27.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.123 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 m -139.08 91.3 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.2 mt -99.9 133.01 21.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 73.33 111.161 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.697 2.264 . . . . 74.55 112.34 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -62.58 -21.89 65.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.152 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.1 mt 61.03 159.67 0.11 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 74.22 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 167.69 23.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 74.44 112.346 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 72.55 112.308 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.13 -31.05 18.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t -68.69 -27.82 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 72.31 111.119 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.24 -19.32 45.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 73.34 112.466 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.23 92.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.457 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -117.65 -39.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 74.11 110.85 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.44 111.128 179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 74.31 112.494 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -154.3 -47.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 63.42 111.125 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 tp 176.13 132.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.943 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.87 -121.71 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 73.35 112.472 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -152.23 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 75.35 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.63 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.828 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . . . 176.02 168.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 75.22 111.11 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -122.63 -7.49 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.92 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -23.33 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 72.11 112.471 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mm -89.97 167.13 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 75.32 111.138 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.6 m -101.14 -16.38 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.34 111.125 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mt -50.75 167.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.99 -59.48 3.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.551 0.691 . . . . 73.32 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.68 85.45 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.259 . . . . 71.11 112.326 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 0.8 OUTLIER -115.91 178.77 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.52 110.928 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -98.54 166.96 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.905 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 31.7 m-85 -62.46 169.77 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.882 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -73.33 -58.24 2.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.536 0.684 . . . . 73.23 110.905 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.9 Cg_endo -69.76 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 72.15 112.33 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 37.7 mm -49.3 -47.01 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.124 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.3 m -124.06 100.98 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -99.83 132.86 22.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.33 111.137 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.41 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 74.55 112.326 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.4 p -69.65 -17.7 63.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.35 111.135 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.03 160.6 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 74.22 110.931 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.81 23.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 74.44 112.35 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.06 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 72.55 112.315 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 mt -114.88 -46.7 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.928 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m 53.81 42.22 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.31 111.159 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.35 -38.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.68 -0.771 . . . . 73.34 112.442 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.05 -35.17 6.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.03 112.473 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -109.14 78.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 74.11 110.863 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.036 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 74.31 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.91 -47.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 63.42 111.08 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 tp 174.29 136.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.95 -112.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 73.35 112.479 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -148.74 -75.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 75.35 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.2 -81.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.31 110.883 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -179.08 162.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.096 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -105.63 -21.8 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.889 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -29.34 1.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 72.11 112.474 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 mm -67.32 158.27 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 75.32 111.152 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -52.88 -28.2 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.34 111.148 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.22 141.66 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.885 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.64 -57.88 0.58 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 73.32 110.927 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.3 Cg_endo -69.83 83.62 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 71.11 112.34 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -135.26 -166.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -43.94 155.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.895 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -63.57 167.89 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 tttp -67.05 -58.41 9.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.532 0.682 . . . . 73.23 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.77 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.653 2.235 . . . . 72.15 112.383 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.27 -23.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.133 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -143.68 90.34 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.1 mt -103.46 133.06 20.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 73.33 111.119 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 74.55 112.381 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -71.96 -11.02 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 74.35 111.154 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.92 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 74.22 110.92 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 167.79 23.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 74.44 112.384 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.647 2.232 . . . . 72.55 112.348 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.87 21.67 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 m -82.72 -24.5 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 72.31 111.156 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.19 -22.06 6.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 73.34 112.499 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -25.91 62.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 75.03 112.495 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -121.96 117.53 26.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 74.11 110.858 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.101 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -153.07 -44.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 63.42 111.16 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.6 tp 179.48 138.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.2 110.952 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.21 -137.04 6.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 73.35 112.484 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -133.13 -57.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 75.35 110.883 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.23 -179.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.62 127.06 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.66 5.82 34.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.883 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.77 20.79 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 72.11 112.47 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mm -126.79 162.33 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 75.32 111.121 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -90.41 -21.9 21.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 63.34 111.128 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -51.12 161.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 74.22 110.907 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.25 -59.51 2.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.702 . . . . 73.32 110.853 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.9 Cg_endo -69.75 94.68 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 71.11 112.344 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -123.66 173.5 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.952 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.381 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 10.8 t -70.39 157.03 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.891 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.96 170.05 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.4 tttm -67.97 -58.9 7.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 73.23 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.76 -48.42 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.746 2.297 . . . . 72.15 112.331 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -52.39 -37.87 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.31 111.146 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.381 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 34.2 m -131.6 96.57 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.1 mt -102.77 132.91 20.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 73.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 74.55 112.35 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 p -64.43 -21.5 66.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 74.35 111.191 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.85 153.27 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 74.22 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 112.45 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.254 . . . . 74.44 112.375 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.05 13.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 72.55 112.344 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mt 59.89 19.77 8.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -53.4 -40.71 65.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 72.31 111.16 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.7 58.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 73.34 112.463 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.83 -78.37 0.79 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 75.03 112.494 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -124.54 142.11 51.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 74.11 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.44 111.096 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.53 -0.228 . . . . 74.31 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.11 -47.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 63.42 111.152 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 tp 176.73 131.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 75.2 110.866 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 -118.48 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 73.35 112.528 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -157.97 -71.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 75.35 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.98 -88.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.825 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 176.17 165.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.079 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -121.28 -8.54 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.859 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.21 -22.13 2.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 72.11 112.461 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mm -91.13 166.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 75.32 111.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -100.27 -15.68 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.124 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -51.03 167.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -71.36 -59.62 3.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 73.32 110.936 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 86.51 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.619 2.213 . . . . 71.11 112.391 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -177.22 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.52 110.922 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -95.17 -176.13 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -80.29 172.85 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 tttp -73.9 -58.58 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 73.23 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.79 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 72.15 112.344 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.1 mm -47.62 -71.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.5 m -101.77 113.69 27.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 mt -108.11 132.38 21.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.731 . . . . 73.33 111.117 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -40.37 5.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 74.55 112.333 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -95.74 24.14 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.129 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 pp -50.32 154.44 2.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.718 . . . . 74.22 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.14 25.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 74.44 112.317 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -174.66 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.719 2.279 . . . . 72.55 112.353 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 51.72 29.39 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.947 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -52.2 -35.81 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.31 111.141 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.19 45.73 1.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.75 . . . . 73.34 112.497 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.55 -55.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 75.03 112.532 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -131.29 74.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 74.11 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.089 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 74.31 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.93 -46.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 63.42 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp 174.8 136.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.2 110.944 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.93 -114.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 73.35 112.516 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -143.89 -75.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 75.35 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.31 -80.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.849 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.01 163.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.22 111.085 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.84 -22.19 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 75.51 110.916 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.39 -28.34 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 72.11 112.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.97 158.34 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 75.32 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -53.25 -27.61 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 63.34 111.151 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.78 142.24 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.65 -57.99 0.57 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 73.32 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.75 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 71.11 112.344 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -135.76 -167.76 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.914 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 t -44.64 154.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.847 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -57.74 170.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.8 tttm -68.06 -58.22 8.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 73.23 110.887 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.3 Cg_endo -69.84 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 72.15 112.318 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 mm -54.43 -26.15 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 73.31 111.116 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.7 m -146.11 93.56 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.875 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.57 132.79 22.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 73.33 111.104 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.89 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 74.55 112.371 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -69.08 -19.48 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.35 111.149 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.09 159.65 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 74.22 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.8 23.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 74.44 112.35 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 178.57 4.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 72.55 112.347 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -117.26 -29.34 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 74.45 110.897 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -64.73 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.106 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.5 -19.73 68.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 73.34 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.7 -27.48 27.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.03 112.482 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -123.81 172.36 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 74.11 110.891 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 74.44 111.114 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.91 -47.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 63.42 111.13 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.5 tp 174.81 135.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 75.2 110.911 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.27 -114.89 0.43 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 73.35 112.5 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.53 -68.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 75.35 110.918 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -79.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.895 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.72 162.86 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.111 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.08 -21.81 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.82 -29.28 1.98 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 72.11 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.1 158.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 75.32 111.121 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -52.67 -28.58 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 63.34 111.099 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.67 142.87 56.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -81.78 -58.06 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 73.32 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.75 83.2 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.742 2.294 . . . . 71.11 112.333 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -135.2 -167.79 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.925 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 t -45.99 152.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -54.49 169.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.922 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 ttpp -66.87 -57.91 10.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 73.23 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 72.15 112.311 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mm -52.2 -27.92 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.142 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -144.74 89.56 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -98.43 133.05 23.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 73.33 111.129 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 74.55 112.332 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -63.0 -21.8 66.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 74.35 111.162 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.1 159.72 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 74.22 110.92 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 167.69 23.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.272 . . . . 74.44 112.327 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.29 4.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 72.55 112.331 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.43 19.83 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.7 m -103.26 69.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.15 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.89 24.65 7.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 73.34 112.465 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.17 29.66 19.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.508 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -66.82 101.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 74.11 110.855 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.44 111.076 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 74.31 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 m -154.16 -46.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 63.42 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp 177.78 132.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.942 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 -121.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.35 112.502 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -151.46 -73.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 75.35 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.54 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.902 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 177.82 167.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -121.19 -9.38 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.874 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -24.01 1.87 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 72.11 112.464 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mm -89.45 166.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 75.32 111.155 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -101.22 -16.03 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 63.34 111.108 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -50.76 168.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.66 -59.4 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.654 0.74 . . . . 73.32 110.943 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.75 2.3 . . . . 71.11 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 1.0 OUTLIER -117.47 179.81 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.898 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.55 174.45 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.85 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -65.94 169.82 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.45 -58.62 6.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 73.23 110.907 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.76 -16.19 37.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 72.15 112.356 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -102.88 152.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.122 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m 60.72 61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.1 mt -103.73 133.11 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 73.33 111.084 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.38 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 74.55 112.33 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.3 4.28 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.145 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.59 160.93 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.693 . . . . 74.22 110.915 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.52 3.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 74.44 112.359 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -175.44 1.18 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 72.55 112.305 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -111.43 -36.08 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.0 m -66.55 -41.57 88.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 72.31 111.104 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.1 22.56 37.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.747 . . . . 73.34 112.479 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.72 -25.33 6.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 75.03 112.501 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -108.83 90.24 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 74.11 110.827 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.111 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.545 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.25 -46.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 63.42 111.141 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.1 tp 179.27 139.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.12 110.893 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.581 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 147.5 -133.17 4.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 63.24 112.453 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -135.26 -61.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 64.31 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.41 177.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.9 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.24 117.15 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.1 pt-20 -72.84 -17.04 61.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.886 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.06 -18.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 65.24 112.471 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -89.22 164.1 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 73.34 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 12.5 m -95.87 -16.95 21.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 52.23 111.168 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.24 168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.97 -59.28 2.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.699 . . . . 73.32 110.918 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.81 96.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.658 2.239 . . . . 61.43 112.321 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.646 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.61 165.54 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.0 t -69.27 152.22 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 71.34 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -62.49 169.31 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.5 tttt -67.69 -58.78 7.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.707 . . . . 62.13 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.4 Cg_endo -69.69 -47.49 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 72.15 112.364 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.087 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.547 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.507 -0.237 . . . . 74.31 112.507 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.3 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 63.42 111.186 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 4' ' ' GLY . 13.5 tp 179.24 137.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 61.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.576 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 148.47 -134.1 4.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -134.73 -60.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 64.31 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.57 177.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.843 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.53 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.22 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.649 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.0 pt-20 -73.6 -17.54 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.893 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.39 -18.6 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 65.24 112.496 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.683 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.8 164.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 73.34 111.135 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 35.9 m -95.84 -17.04 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.13 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.18 168.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.968 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.99 -59.31 2.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 73.32 110.904 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.552 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 96.71 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 61.43 112.327 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.51 165.64 16.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.19 153.72 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.887 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -63.12 170.83 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.837 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 8.7 ttpp -67.95 -58.96 7.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 62.13 110.874 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.0 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 72.15 112.346 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 73.31 111.144 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.482 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 74.31 112.527 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.42 -46.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 63.42 111.134 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 4' ' ' GLY . 13.8 tp 179.25 138.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.12 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.35 -139.75 8.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 63.24 112.517 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -128.87 -60.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 64.31 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.864 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.09 116.84 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.22 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.641 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.8 pt-20 -72.13 -16.95 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.896 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -18.34 0.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 65.24 112.503 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 12' ' ' LEU . 3.3 mm -89.14 163.85 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 73.34 111.133 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 10' ' ' ILE . 42.0 m -95.33 -16.79 22.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.23 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 10' ' ' ILE . 7.8 mt -51.28 168.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.856 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.12 -59.4 2.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 73.32 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.79 96.57 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 61.43 112.318 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.35 163.97 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.42 110.891 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.76 154.07 40.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -66.72 164.04 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.0 ttpt -68.15 -58.67 7.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 62.13 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.2 Cg_endo -69.65 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 72.15 112.364 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.117 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.454 -0.258 . . . . 74.31 112.454 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -153.43 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 63.42 111.13 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 4' ' ' GLY . 16.8 tp 179.76 141.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.602 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 150.08 -126.86 2.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.53 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -142.46 -57.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 64.31 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.25 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.831 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.0 115.49 21.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.64 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.9 pt-20 -72.24 -17.94 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.26 -17.38 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 65.24 112.538 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.33 163.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 73.34 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.6 m -95.31 -16.29 22.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 52.23 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 10' ' ' ILE . 8.2 mt -51.45 168.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -72.83 -59.33 2.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 73.32 110.925 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.557 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.75 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 61.43 112.348 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.2 mm? -122.84 161.39 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.932 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.94 171.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.879 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -83.65 172.81 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.858 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.2 ttmt -68.54 -59.3 5.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 62.13 110.945 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.72 -17.41 37.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 72.15 112.404 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 111.115 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.568 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.37 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 63.42 111.149 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.59 HD12 ' H ' ' A' ' 4' ' ' GLY . 15.3 tp 179.34 139.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 61.12 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.69 -134.98 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 63.24 112.489 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -133.67 -59.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 64.31 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -55.89 178.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.19 116.95 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.22 111.092 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.637 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.6 pt-20 -72.9 -17.78 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.9 -18.19 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.24 112.464 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.693 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.23 163.97 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 73.34 111.083 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -95.65 -16.53 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 52.23 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 HG21 ' A' ' 10' ' ' ILE . 7.9 mt -51.36 169.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.901 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.07 -59.43 2.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.645 0.736 . . . . 73.32 110.877 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.72 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 61.43 112.339 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.2 mm? -122.58 163.45 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 63.42 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.77 156.91 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.49 169.36 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 tttt -67.75 -58.87 7.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 62.13 110.836 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.71 -40.93 4.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 72.15 112.348 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 73.31 111.171 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.499 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.47 -0.252 . . . . 74.31 112.47 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.28 -46.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 63.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 4' ' ' GLY . 12.3 tp 179.36 138.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.567 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 143.98 -141.8 10.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 63.24 112.423 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.56 -60.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 64.31 110.903 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -52.23 171.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 73.53 110.871 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.57 116.56 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.1 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.5 pt-20 -71.91 -17.74 62.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.915 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.44 -18.51 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 65.24 112.506 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.14 164.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 73.34 111.134 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 24.6 m -95.21 -17.61 21.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 52.23 111.131 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.695 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -51.1 168.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.952 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.19 -59.38 2.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.697 . . . . 73.32 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.76 96.96 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 61.43 112.354 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.99 163.73 18.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 63.42 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.18 151.33 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.16 162.29 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.841 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 9.8 tttt -69.16 -58.77 5.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 62.13 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.75 -6.75 19.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 72.15 112.318 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.31 111.159 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.604 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.1 -44.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 63.42 111.14 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 tp 179.16 130.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 -125.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 63.24 112.476 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -142.43 -64.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 64.31 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -173.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.43 115.66 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.625 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.7 pt-20 -70.8 -17.22 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 75.51 110.888 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.45 -17.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 65.24 112.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.83 164.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 73.34 111.113 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.3 m -94.99 -16.61 22.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.175 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 10' ' ' ILE . 8.8 mt -51.28 168.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.94 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.04 -59.32 2.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 73.32 110.925 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.531 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.721 2.28 . . . . 61.43 112.362 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.93 161.6 22.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 63.42 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.62 162.23 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.97 171.03 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 22.6 tttt -68.47 -58.68 6.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 62.13 110.886 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.74 -11.98 32.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 72.15 112.337 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.138 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 74.31 112.46 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.14 -46.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 63.42 111.125 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 177.79 132.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 61.12 110.942 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.91 -119.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.796 -0.716 . . . . 63.24 112.501 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -151.91 -74.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 64.31 110.898 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.6 t70 -60.01 -87.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.811 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . . . 177.92 166.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.22 111.12 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.675 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.7 pt-20 -119.41 -10.81 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.8 -24.3 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 65.24 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -88.76 166.63 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 73.34 111.11 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.454 ' H ' HG22 ' A' ' 10' ' ' ILE . 20.6 m -101.06 -15.87 17.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 52.23 111.164 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 10' ' ' ILE . 10.5 mt -50.9 168.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.932 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.8 -59.38 3.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 73.32 110.961 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.232 . . . . 61.43 112.348 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -117.85 179.27 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 175.63 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -66.23 170.65 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 71.33 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.1 ttpp -64.33 -58.58 13.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 62.13 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.77 -43.86 2.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 72.15 112.352 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.111 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.439 -0.264 . . . . 74.31 112.439 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -154.32 -46.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 63.42 111.109 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.3 tp 177.94 132.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 61.12 110.935 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.9 -119.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -152.15 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 64.31 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.0 t70 -59.58 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.53 110.843 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 178.12 166.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.685 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.8 pt-20 -119.47 -10.83 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.905 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.01 -23.48 1.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 65.24 112.46 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.1 mm -90.05 167.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.176 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.471 ' H ' HG22 ' A' ' 10' ' ' ILE . 27.0 m -101.87 -15.78 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 52.23 111.111 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.604 HD12 HG21 ' A' ' 10' ' ' ILE . 9.0 mt -51.08 168.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.53 -59.35 3.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 73.32 110.937 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.7 Cg_endo -69.74 86.83 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.742 2.294 . . . . 61.43 112.325 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -118.0 178.91 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 63.42 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 174.73 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.7 169.59 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 3.6 tttp -65.59 -58.61 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 62.13 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.81 -40.63 5.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 72.15 112.345 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.156 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.812 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.245 . . . . 74.31 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.66 -46.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 63.42 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.21 138.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.918 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.573 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 148.27 -131.94 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.737 . . . . 63.24 112.458 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.17 -60.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 64.31 110.868 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.32 179.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.53 110.877 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.76 125.59 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.22 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.6 pt-20 -82.73 1.03 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.04 19.87 1.72 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 65.24 112.434 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.836 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.37 150.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 73.34 111.108 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -77.1 -21.99 53.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 52.23 111.14 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.695 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.0 mt -46.39 161.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.916 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -75.27 -59.87 1.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 73.32 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.73 93.14 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.254 . . . . 61.43 112.403 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.3 mm? -122.76 169.73 10.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 63.42 110.944 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 t -69.03 162.53 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.86 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -67.55 170.54 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 11.1 ttpt -67.89 -58.8 7.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 62.13 110.939 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.8 -21.6 33.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 72.15 112.316 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.178 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.805 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 74.31 112.458 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -153.48 -46.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 63.42 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.91 139.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.941 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.567 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.2 -137.48 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 63.24 112.486 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -131.65 -58.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 64.31 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.07 179.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.32 125.58 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.155 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.701 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -83.5 0.95 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.89 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.05 19.85 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 65.24 112.515 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.831 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.51 150.46 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 73.34 111.128 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 m -77.32 -21.97 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 52.23 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.693 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.7 mt -46.48 161.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -74.89 -59.89 1.33 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.77 93.33 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.63 2.22 . . . . 61.43 112.363 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.4 mm? -123.3 168.78 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 63.42 110.881 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.82 159.92 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.835 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.41 168.1 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -68.4 -58.59 7.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 62.13 110.85 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.2 Cg_endo -69.76 -23.72 30.47 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 72.15 112.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.5 mm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.123 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 74.31 112.494 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -154.3 -47.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 63.42 111.125 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.7 tp 176.13 132.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.943 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 174.87 -121.71 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 63.24 112.472 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -152.23 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 64.31 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 20.4 t70 -61.63 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.828 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.02 168.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 75.22 111.11 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.692 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.2 pt-20 -122.63 -7.49 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.92 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -23.33 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 65.24 112.471 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.673 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.2 mm -89.97 167.13 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 73.34 111.138 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.461 ' H ' HG22 ' A' ' 10' ' ' ILE . 37.6 m -101.14 -16.38 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 52.23 111.125 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -50.75 167.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.99 -59.48 3.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.551 0.691 . . . . 73.32 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.68 85.45 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.259 . . . . 61.43 112.326 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -115.91 178.77 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.928 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -98.54 166.96 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.905 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.446 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 31.7 m-85 -62.46 169.77 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.882 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -73.33 -58.24 2.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.536 0.684 . . . . 62.13 110.905 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.9 Cg_endo -69.76 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 72.15 112.33 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 37.7 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.124 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.679 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 74.31 112.5 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.91 -47.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 63.42 111.08 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 174.29 136.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 61.12 110.921 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.577 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 178.95 -112.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 63.24 112.479 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -148.74 -75.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 64.31 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.2 -81.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.883 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -179.08 162.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.096 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -105.63 -21.8 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.889 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -29.34 1.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 65.24 112.474 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 11' ' ' THR . 7.5 mm -67.32 158.27 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 73.34 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 10' ' ' ILE . 7.5 m -52.88 -28.2 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.83 ' CB ' HD21 ' A' ' 15' ' ' LEU . 82.3 mt -62.22 141.66 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.885 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.64 -57.88 0.58 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 73.32 110.927 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.887 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 83.62 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 61.43 112.34 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 14' ' ' PRO . 15.1 mt -135.26 -166.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.925 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -43.94 155.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.895 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -63.57 167.89 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 tttp -67.05 -58.41 9.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.532 0.682 . . . . 62.13 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.77 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.653 2.235 . . . . 72.15 112.383 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.133 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.818 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -153.07 -44.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 63.42 111.16 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.6 tp 179.48 138.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 61.12 110.952 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.46 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.21 -137.04 6.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 63.24 112.484 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -133.13 -57.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 64.31 110.883 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.23 -179.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.62 127.06 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.709 ' H ' HD12 ' A' ' 15' ' ' LEU . 12.7 pt-20 -86.66 5.82 34.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.883 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 10' ' ' ILE . . . 122.77 20.79 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 65.24 112.47 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.77 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.7 mm -126.79 162.33 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 73.34 111.121 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -90.41 -21.9 21.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.128 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 10' ' ' ILE . 6.3 mt -51.12 161.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 74.22 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.25 -59.51 2.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.702 . . . . 73.32 110.853 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.75 94.68 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 61.43 112.344 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.818 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.8 mm? -123.66 173.5 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 63.42 110.952 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.39 157.03 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.891 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.96 170.05 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.4 tttm -67.97 -58.9 7.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 62.13 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.76 -48.42 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.746 2.297 . . . . 72.15 112.331 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.31 111.146 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.53 -0.228 . . . . 74.31 112.53 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.11 -47.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 63.42 111.152 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 tp 176.73 131.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 61.12 110.866 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 -118.48 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.528 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -157.97 -71.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 64.31 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.7 t70 -55.98 -88.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.825 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.17 165.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.079 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.694 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.28 -8.54 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.21 -22.13 2.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 65.24 112.461 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.4 mm -91.13 166.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.34 111.161 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.47 ' H ' HG22 ' A' ' 10' ' ' ILE . 25.2 m -100.27 -15.68 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 52.23 111.124 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 10' ' ' ILE . 11.7 mt -51.03 167.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -71.36 -59.62 3.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 73.32 110.936 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 86.51 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.619 2.213 . . . . 61.43 112.391 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -116.54 -177.22 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -95.17 -176.13 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 21.7 m-85 -80.29 172.85 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.881 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 tttp -73.9 -58.58 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 62.13 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.79 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 72.15 112.344 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 51.1 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.669 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 74.31 112.474 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.93 -46.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 63.42 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 4' ' ' GLY . 4.9 tp 174.8 136.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 61.12 110.944 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.614 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -179.93 -114.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 63.24 112.516 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -143.89 -75.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 64.31 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.31 -80.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.849 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.01 163.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.22 111.085 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.84 -22.19 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 75.51 110.916 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.39 -28.34 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 65.24 112.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.97 158.34 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 73.34 111.116 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.4 m -53.25 -27.61 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 52.23 111.151 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.823 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.9 mt -62.78 142.24 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.53 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.65 -57.99 0.57 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 73.32 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.88 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 61.43 112.344 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.76 -167.76 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.914 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 t -44.64 154.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.847 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -57.74 170.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.8 tttm -68.06 -58.22 8.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 62.13 110.887 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.3 Cg_endo -69.84 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 72.15 112.318 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 73.31 111.116 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.69 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.91 -47.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 63.42 111.13 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 4' ' ' GLY . 5.5 tp 174.81 135.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 61.12 110.911 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -178.27 -114.89 0.43 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.5 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.53 -68.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 64.31 110.918 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -79.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.53 110.895 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.72 162.86 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.111 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.08 -21.81 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.82 -29.28 1.98 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 65.24 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.1 158.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 73.34 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 m -52.67 -28.58 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 52.23 111.099 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.814 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.8 mt -61.67 142.87 56.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.931 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -81.78 -58.06 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 73.32 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.87 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 83.2 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.742 2.294 . . . . 61.43 112.333 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.2 -167.79 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.925 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 t -45.99 152.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 86.8 m-85 -54.49 169.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 ttpp -66.87 -57.91 10.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 62.13 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 72.15 112.311 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 74.31 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 m -154.16 -46.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 63.42 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.6 tp 177.78 132.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.98 -121.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 63.24 112.502 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -151.46 -73.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 64.31 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.1 t70 -60.54 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 177.82 167.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.19 -9.38 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.874 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -24.01 1.87 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 65.24 112.464 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.676 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -89.45 166.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.155 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.462 ' H ' HG22 ' A' ' 10' ' ' ILE . 28.2 m -101.22 -16.03 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 52.23 111.108 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.618 HD12 HG21 ' A' ' 10' ' ' ILE . 8.7 mt -50.76 168.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.933 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.66 -59.4 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.654 0.74 . . . . 73.32 110.943 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.75 2.3 . . . . 61.43 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.676 HD11 ' HB ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -117.47 179.81 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.898 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.55 174.45 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.85 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -65.94 169.82 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.45 -58.62 6.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 62.13 110.907 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.76 -16.19 37.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 72.15 112.356 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.122 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.545 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.25 -46.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 63.42 111.141 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.1 tp 179.27 139.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.12 110.893 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.581 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 147.5 -133.17 4.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 63.24 112.453 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -135.26 -61.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 64.31 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.41 177.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.9 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.24 117.15 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.1 pt-20 -72.84 -17.04 61.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.886 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.06 -18.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 65.24 112.471 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -89.22 164.1 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 73.34 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 12.5 m -95.87 -16.95 21.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 52.23 111.168 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.24 168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.97 -59.28 2.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.699 . . . . 73.32 110.918 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.81 96.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.658 2.239 . . . . 61.43 112.321 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.646 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.61 165.54 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.354 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 23.0 t -69.27 152.22 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 71.34 110.87 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -62.49 169.31 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.5 tttt -67.69 -58.78 7.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.707 . . . . 62.13 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.4 Cg_endo -69.69 -47.49 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 72.15 112.364 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.6 mm -53.95 -29.9 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.087 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.354 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 47.8 m -138.95 92.74 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.55 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 23' ' ' PRO . 66.7 mt -104.69 133.07 20.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 73.33 111.111 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.9 Cg_endo -69.74 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.615 2.21 . . . . 74.24 112.392 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -61.04 -22.47 64.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 60.5 111.145 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 62.39 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 74.14 110.94 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 167.75 23.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 73.52 112.349 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.25 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 62.32 112.343 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -121.04 46.03 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -106.88 -29.46 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.42 111.178 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 19.68 50.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 72.32 112.511 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 19.75 38.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.523 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -87.14 -59.74 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 74.11 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.118 179.897 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.547 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.507 -0.237 . . . . 74.31 112.507 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.3 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 63.42 111.186 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 4' ' ' GLY . 13.5 tp 179.24 137.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 61.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.576 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 148.47 -134.1 4.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -134.73 -60.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 64.31 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.57 177.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.843 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.53 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.22 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.649 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.0 pt-20 -73.6 -17.54 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.893 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.39 -18.6 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 65.24 112.496 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.683 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.8 164.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 73.34 111.135 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 35.9 m -95.84 -17.04 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.13 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.18 168.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.968 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.99 -59.31 2.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 73.32 110.904 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.552 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 96.71 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 61.43 112.327 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.51 165.64 16.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.19 153.72 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.887 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -63.12 170.83 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.837 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 8.7 ttpp -67.95 -58.96 7.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 62.13 110.874 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.0 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 72.15 112.346 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -53.02 -30.01 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 73.31 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -139.04 92.88 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.55 110.887 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.421 HG23 ' HD2' ' A' ' 23' ' ' PRO . 60.2 mt -101.07 133.01 21.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 73.33 111.163 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.8 Cg_endo -69.77 -48.15 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.638 2.226 . . . . 74.24 112.375 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -64.27 -21.2 66.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.184 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 61.45 160.68 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 74.14 110.918 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HD2' HD23 ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 167.77 23.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 73.52 112.334 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.92 4.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 62.32 112.385 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.94 59.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 63.02 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -118.52 -34.61 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 54.42 111.131 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.92 -18.91 60.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 72.32 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -34.41 87.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 75.03 112.451 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -100.02 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 74.11 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.05 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 74.31 112.527 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.42 -46.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 63.42 111.134 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 4' ' ' GLY . 13.8 tp 179.25 138.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.12 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.35 -139.75 8.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 63.24 112.517 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -128.87 -60.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 64.31 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.864 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.09 116.84 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.22 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.641 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.8 pt-20 -72.13 -16.95 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.896 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -18.34 0.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 65.24 112.503 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 12' ' ' LEU . 3.3 mm -89.14 163.85 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 73.34 111.133 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 10' ' ' ILE . 42.0 m -95.33 -16.79 22.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.23 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 10' ' ' ILE . 7.8 mt -51.28 168.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.856 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.12 -59.4 2.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 73.32 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.79 96.57 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 61.43 112.318 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.35 163.97 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.42 110.891 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.76 154.07 40.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -66.72 164.04 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.0 ttpt -68.15 -58.67 7.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 62.13 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.2 Cg_endo -69.65 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 72.15 112.364 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.61 -23.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.117 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -143.42 104.59 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.55 110.868 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG23 ' HD2' ' A' ' 23' ' ' PRO . 60.6 mt -117.82 133.02 23.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.65 0.738 . . . . 73.33 111.128 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.6 Cg_endo -69.76 -40.84 4.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 74.24 112.295 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 m -53.55 -25.73 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 60.5 111.165 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 mt -52.92 157.31 2.86 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.62 0.724 . . . . 74.14 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.69 23.76 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.64 2.227 . . . . 73.52 112.341 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -178.43 2.32 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.69 2.26 . . . . 62.32 112.355 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.94 48.27 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.02 110.899 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.53 31.82 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 54.42 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.06 61.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 72.32 112.519 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.52 47.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 75.03 112.539 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -140.34 122.62 15.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 74.11 110.884 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.086 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.454 -0.258 . . . . 74.31 112.454 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -153.43 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 63.42 111.13 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 4' ' ' GLY . 16.8 tp 179.76 141.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.602 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 150.08 -126.86 2.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.53 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -142.46 -57.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 64.31 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.25 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.831 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.0 115.49 21.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.64 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.9 pt-20 -72.24 -17.94 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.26 -17.38 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 65.24 112.538 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.33 163.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 73.34 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.6 m -95.31 -16.29 22.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 52.23 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 10' ' ' ILE . 8.2 mt -51.45 168.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -72.83 -59.33 2.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 73.32 110.925 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.557 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.75 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 61.43 112.348 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.2 mm? -122.84 161.39 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.932 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.94 171.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.879 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -83.65 172.81 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.858 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.2 ttmt -68.54 -59.3 5.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 62.13 110.945 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.72 -17.41 37.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 72.15 112.404 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -95.81 151.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.7 m 58.97 61.39 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.55 110.864 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 23' ' ' PRO . 71.6 mt -96.97 133.04 24.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 73.33 111.173 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.7 Cg_endo -69.77 -48.12 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.658 2.239 . . . . 74.24 112.346 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 p -62.94 -22.17 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 60.5 111.161 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.08 159.72 0.11 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.632 0.73 . . . . 74.14 110.864 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 167.74 23.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 73.52 112.353 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -172.58 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 62.32 112.368 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -132.4 30.84 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.02 110.903 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 p -123.17 71.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 54.42 111.138 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.04 -24.19 4.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 72.32 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.14 65.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.479 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -74.29 -26.27 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.333 . . . . 74.11 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.44 111.13 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.568 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.37 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 63.42 111.149 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.59 HD12 ' H ' ' A' ' 4' ' ' GLY . 15.3 tp 179.34 139.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 61.12 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.69 -134.98 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 63.24 112.489 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -133.67 -59.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 64.31 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -55.89 178.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.19 116.95 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.22 111.092 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.637 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.6 pt-20 -72.9 -17.78 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.9 -18.19 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.24 112.464 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.693 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.23 163.97 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 73.34 111.083 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -95.65 -16.53 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 52.23 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 HG21 ' A' ' 10' ' ' ILE . 7.9 mt -51.36 169.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.901 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.07 -59.43 2.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.645 0.736 . . . . 73.32 110.877 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.72 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 61.43 112.339 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.2 mm? -122.58 163.45 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 63.42 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.77 156.91 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.49 169.36 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 tttt -67.75 -58.87 7.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 62.13 110.836 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.71 -40.93 4.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 72.15 112.348 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 mm -63.77 -25.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 73.31 111.171 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -143.23 94.87 2.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.55 110.837 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.668 ' CG2' HG22 ' A' ' 24' ' ' THR . 6.2 mt -95.07 131.59 29.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 73.33 111.136 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -32.11 18.86 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.695 2.263 . . . . 74.24 112.334 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.668 HG22 ' CG2' ' A' ' 22' ' ' ILE . 11.1 t -53.49 -23.98 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 60.5 111.148 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD12 ' HB ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -50.0 160.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 74.14 110.899 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.75 23.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 73.52 112.397 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.239 . . . . 62.32 112.354 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 tp -116.56 27.35 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 63.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 54.42 111.172 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.22 -19.31 51.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 72.32 112.53 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.11 48.98 0.88 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 75.03 112.506 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -81.19 79.98 7.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 74.11 110.833 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.093 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.499 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.47 -0.252 . . . . 74.31 112.47 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.28 -46.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 63.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 4' ' ' GLY . 12.3 tp 179.36 138.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.567 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 143.98 -141.8 10.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 63.24 112.423 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.56 -60.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 64.31 110.903 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -52.23 171.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 73.53 110.871 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.57 116.56 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.1 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.5 pt-20 -71.91 -17.74 62.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.915 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.44 -18.51 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 65.24 112.506 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.14 164.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 73.34 111.134 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 24.6 m -95.21 -17.61 21.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 52.23 111.131 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.695 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -51.1 168.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.952 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.19 -59.38 2.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.697 . . . . 73.32 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.76 96.96 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 61.43 112.354 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.99 163.73 18.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 63.42 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.18 151.33 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.16 162.29 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.841 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 9.8 tttt -69.16 -58.77 5.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 62.13 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.75 -6.75 19.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 72.15 112.318 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.73 -23.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.31 111.159 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -132.13 100.61 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 73.55 110.905 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 25' ' ' LEU . 43.9 mm -133.53 131.64 21.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 73.33 111.107 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.08 6.87 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 74.24 112.365 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -67.74 -15.88 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 60.5 111.172 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 22' ' ' ILE . 44.8 mt -91.09 157.11 43.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 74.14 110.9 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.64 23.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 73.52 112.367 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -172.28 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.257 . . . . 62.32 112.389 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 pp -112.0 -32.85 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 63.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 54.42 111.151 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -20.59 75.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 72.32 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.05 -39.68 70.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 75.03 112.497 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -105.4 147.5 28.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 74.11 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.115 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.604 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.1 -44.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 63.42 111.14 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 tp 179.16 130.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 -125.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 63.24 112.476 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -142.43 -64.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 64.31 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -173.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.43 115.66 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.7 pt-20 -70.8 -17.22 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 75.51 110.888 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.45 -17.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 65.24 112.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.83 164.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 73.34 111.113 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.3 m -94.99 -16.61 22.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.175 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 10' ' ' ILE . 8.8 mt -51.28 168.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.94 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.04 -59.32 2.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 73.32 110.925 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.531 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.721 2.28 . . . . 61.43 112.362 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.93 161.6 22.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 63.42 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.62 162.23 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.97 171.03 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 22.6 tttt -68.47 -58.68 6.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 62.13 110.886 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.74 -11.98 32.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 72.15 112.337 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -106.85 153.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.138 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.5 m 60.16 59.65 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 73.55 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG23 ' HD2' ' A' ' 23' ' ' PRO . 69.9 mt -111.87 133.11 21.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 73.33 111.097 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.7 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 74.24 112.344 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.0 p -66.89 -19.75 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 60.5 111.162 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.17 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 74.14 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.267 . . . . 73.52 112.331 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -166.69 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 62.32 112.35 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.98 31.93 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 63.02 110.888 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.5 m -80.57 -28.86 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.42 111.145 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.0 19.32 41.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 72.32 112.478 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.42 -25.77 5.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 75.03 112.499 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 74.11 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 74.31 112.46 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.14 -46.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 63.42 111.125 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 177.79 132.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 61.12 110.942 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.91 -119.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.796 -0.716 . . . . 63.24 112.501 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -151.91 -74.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 64.31 110.898 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.6 t70 -60.01 -87.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.811 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . . . 177.92 166.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.22 111.12 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.675 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.7 pt-20 -119.41 -10.81 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.8 -24.3 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 65.24 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -88.76 166.63 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 73.34 111.11 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.454 ' H ' HG22 ' A' ' 10' ' ' ILE . 20.6 m -101.06 -15.87 17.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 52.23 111.164 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 10' ' ' ILE . 10.5 mt -50.9 168.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.932 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.8 -59.38 3.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 73.32 110.961 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.232 . . . . 61.43 112.348 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -117.85 179.27 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 175.63 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -66.23 170.65 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 71.33 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.1 ttpp -64.33 -58.58 13.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 62.13 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.77 -43.86 2.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 72.15 112.352 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.84 150.13 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m 61.16 52.82 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.55 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 ' HD2' ' A' ' 23' ' ' PRO . 58.1 mt -62.23 133.07 94.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 73.33 111.144 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.4 Cg_endo -69.81 -48.39 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 74.24 112.326 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.56 19.81 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 60.5 111.16 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.93 160.75 0.12 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 74.14 110.892 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.64 23.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 73.52 112.308 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -175.26 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 62.32 112.356 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt 55.94 56.31 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 63.02 110.926 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.28 24.22 11.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 54.42 111.123 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.17 18.5 5.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 72.32 112.485 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.48 -67.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 75.03 112.496 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -51.99 -30.2 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 74.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.44 111.138 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.439 -0.264 . . . . 74.31 112.439 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -154.32 -46.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 63.42 111.109 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.3 tp 177.94 132.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 61.12 110.935 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.9 -119.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -152.15 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 64.31 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.0 t70 -59.58 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.53 110.843 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 178.12 166.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.685 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.8 pt-20 -119.47 -10.83 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.905 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.01 -23.48 1.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 65.24 112.46 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.1 mm -90.05 167.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.176 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.471 ' H ' HG22 ' A' ' 10' ' ' ILE . 27.0 m -101.87 -15.78 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 52.23 111.111 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.604 HD12 HG21 ' A' ' 10' ' ' ILE . 9.0 mt -51.08 168.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.53 -59.35 3.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 73.32 110.937 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.7 Cg_endo -69.74 86.83 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.742 2.294 . . . . 61.43 112.325 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -118.0 178.91 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 63.42 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 174.73 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.7 169.59 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 3.6 tttp -65.59 -58.61 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 62.13 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.81 -40.63 5.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 72.15 112.345 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -75.05 153.81 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.156 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.1 m 59.83 60.59 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.55 110.875 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' HB ' HD23 ' A' ' 25' ' ' LEU . 18.0 mt -77.25 132.04 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 73.33 111.163 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 74.24 112.324 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -25.18 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 60.5 111.184 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD23 ' HB ' ' A' ' 22' ' ' ILE . 3.9 mm? -77.18 159.18 78.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 74.14 110.966 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.71 23.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.753 2.302 . . . . 73.52 112.308 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.82 5.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 62.32 112.333 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.97 41.75 8.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -56.16 -31.55 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 54.42 111.112 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.08 -19.6 46.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.32 112.528 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.89 -87.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 75.03 112.466 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -97.55 117.76 32.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 74.11 110.878 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.44 111.108 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.812 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.245 . . . . 74.31 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.66 -46.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 63.42 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.21 138.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.918 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.573 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 148.27 -131.94 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.737 . . . . 63.24 112.458 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.17 -60.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 64.31 110.868 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.32 179.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.53 110.877 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.76 125.59 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.22 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.6 pt-20 -82.73 1.03 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.04 19.87 1.72 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 65.24 112.434 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.836 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.37 150.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 73.34 111.108 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -77.1 -21.99 53.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 52.23 111.14 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.695 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.0 mt -46.39 161.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.916 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -75.27 -59.87 1.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 73.32 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.73 93.14 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.254 . . . . 61.43 112.403 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.3 mm? -122.76 169.73 10.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 63.42 110.944 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.6 t -69.03 162.53 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.86 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -67.55 170.54 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 11.1 ttpt -67.89 -58.8 7.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 62.13 110.939 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.8 -21.6 33.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 72.15 112.316 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -96.23 155.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 33.3 m 63.41 52.99 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.925 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mt -90.84 132.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 73.33 111.144 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.46 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 74.24 112.316 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -71.45 -16.89 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 60.5 111.138 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 62.37 160.7 0.12 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 74.14 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.574 ' HD2' HD23 ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 167.72 23.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 73.52 112.373 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -178.83 2.51 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.687 2.258 . . . . 62.32 112.389 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -118.8 54.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.897 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -93.84 -32.94 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.42 111.166 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -22.82 46.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 72.32 112.46 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.52 -62.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.03 112.438 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -95.98 136.06 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 74.11 110.8 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.052 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.805 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 74.31 112.458 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -153.48 -46.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 63.42 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.91 139.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.941 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.567 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.2 -137.48 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 63.24 112.486 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -131.65 -58.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 64.31 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.07 179.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.32 125.58 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.155 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.701 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -83.5 0.95 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.89 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.05 19.85 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 65.24 112.515 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.831 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.51 150.46 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 73.34 111.128 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 m -77.32 -21.97 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 52.23 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.693 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.7 mt -46.48 161.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -74.89 -59.89 1.33 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.77 93.33 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.63 2.22 . . . . 61.43 112.363 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.4 mm? -123.3 168.78 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 63.42 110.881 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.82 159.92 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.835 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.41 168.1 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -68.4 -58.59 7.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 62.13 110.85 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.2 Cg_endo -69.76 -23.72 30.47 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 72.15 112.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.5 mm -82.59 -27.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.123 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 m -139.08 91.3 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.55 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 23' ' ' PRO . 66.2 mt -99.9 133.01 21.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 73.33 111.161 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.6 Cg_endo -69.75 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.697 2.264 . . . . 74.24 112.34 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -62.58 -21.89 65.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 60.5 111.152 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.1 mt 61.03 159.67 0.11 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 74.14 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 167.69 23.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 73.52 112.346 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 62.32 112.308 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.13 -31.05 18.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 63.02 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t -68.69 -27.82 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 54.42 111.119 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.24 -19.32 45.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 72.32 112.466 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.23 92.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.457 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -117.65 -39.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 74.11 110.85 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.44 111.128 179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 74.31 112.494 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -154.3 -47.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 63.42 111.125 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.7 tp 176.13 132.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.943 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 174.87 -121.71 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 63.24 112.472 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -152.23 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 64.31 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 20.4 t70 -61.63 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.828 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.02 168.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 75.22 111.11 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.692 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.2 pt-20 -122.63 -7.49 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.92 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -23.33 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 65.24 112.471 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.673 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.2 mm -89.97 167.13 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 73.34 111.138 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.461 ' H ' HG22 ' A' ' 10' ' ' ILE . 37.6 m -101.14 -16.38 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 52.23 111.125 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -50.75 167.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.99 -59.48 3.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.551 0.691 . . . . 73.32 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.68 85.45 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.259 . . . . 61.43 112.326 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -115.91 178.77 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.928 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -98.54 166.96 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.905 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.446 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 31.7 m-85 -62.46 169.77 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.882 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -73.33 -58.24 2.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.536 0.684 . . . . 62.13 110.905 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.9 Cg_endo -69.76 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 72.15 112.33 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 37.7 mm -49.3 -47.01 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.124 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.3 m -124.06 100.98 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 73.55 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 23' ' ' PRO . 52.2 mt -99.83 132.86 22.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.33 111.137 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.8 Cg_endo -69.78 -47.41 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 74.24 112.326 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.4 p -69.65 -17.7 63.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 60.5 111.135 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.03 160.6 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 74.14 110.931 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.81 23.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 73.52 112.35 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.06 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 62.32 112.315 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 32' ' ' HIS . 35.1 mt -114.88 -46.7 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 63.02 110.928 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m 53.81 42.22 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 54.42 111.159 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.35 -38.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.68 -0.771 . . . . 72.32 112.442 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.05 -35.17 6.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.03 112.473 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.64 ' HB2' HD12 ' A' ' 28' ' ' LEU . 5.1 t60 -109.14 78.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 74.11 110.863 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.036 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.679 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 74.31 112.5 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.91 -47.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 63.42 111.08 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 174.29 136.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 61.12 110.921 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.577 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 178.95 -112.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 63.24 112.479 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -148.74 -75.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 64.31 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.2 -81.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.883 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -179.08 162.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.096 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -105.63 -21.8 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.889 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -29.34 1.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 65.24 112.474 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 11' ' ' THR . 7.5 mm -67.32 158.27 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 73.34 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 10' ' ' ILE . 7.5 m -52.88 -28.2 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.83 ' CB ' HD21 ' A' ' 15' ' ' LEU . 82.3 mt -62.22 141.66 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.885 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.64 -57.88 0.58 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 73.32 110.927 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.887 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 83.62 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 61.43 112.34 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 14' ' ' PRO . 15.1 mt -135.26 -166.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.925 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -43.94 155.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.895 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -63.57 167.89 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 tttp -67.05 -58.41 9.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.532 0.682 . . . . 62.13 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.77 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.653 2.235 . . . . 72.15 112.383 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.27 -23.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.133 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -143.68 90.34 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.55 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 23' ' ' PRO . 63.1 mt -103.46 133.06 20.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 73.33 111.119 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 22' ' ' ILE . 54.1 Cg_endo -69.79 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 74.24 112.381 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -71.96 -11.02 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 60.5 111.154 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.618 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 61.92 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 74.14 110.92 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HD2' HD23 ' A' ' 25' ' ' LEU . 54.4 Cg_endo -69.67 167.79 23.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 73.52 112.384 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.647 2.232 . . . . 62.32 112.348 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.87 21.67 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 m -82.72 -24.5 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 54.42 111.156 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.19 -22.06 6.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 72.32 112.499 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -25.91 62.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 75.03 112.495 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -121.96 117.53 26.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 74.11 110.858 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.101 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.818 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -153.07 -44.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 63.42 111.16 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.6 tp 179.48 138.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 61.12 110.952 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.21 -137.04 6.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 63.24 112.484 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -133.13 -57.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 64.31 110.883 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.23 -179.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.62 127.06 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.709 ' H ' HD12 ' A' ' 15' ' ' LEU . 12.7 pt-20 -86.66 5.82 34.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.883 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 10' ' ' ILE . . . 122.77 20.79 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 65.24 112.47 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.77 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.7 mm -126.79 162.33 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 73.34 111.121 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -90.41 -21.9 21.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.128 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 10' ' ' ILE . 6.3 mt -51.12 161.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 74.22 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.25 -59.51 2.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.702 . . . . 73.32 110.853 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.75 94.68 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 61.43 112.344 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.818 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.8 mm? -123.66 173.5 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 63.42 110.952 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 10.8 t -70.39 157.03 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.891 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.96 170.05 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.4 tttm -67.97 -58.9 7.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 62.13 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.76 -48.42 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.746 2.297 . . . . 72.15 112.331 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -52.39 -37.87 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.31 111.146 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 34.2 m -131.6 96.57 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.55 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 23' ' ' PRO . 63.1 mt -102.77 132.91 20.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 73.33 111.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.6 Cg_endo -69.76 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 74.24 112.35 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 p -64.43 -21.5 66.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 60.5 111.191 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.85 153.27 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 74.14 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 53.9 Cg_endo -69.79 112.45 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.254 . . . . 73.52 112.375 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.72 172.05 13.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 62.32 112.344 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mt 59.89 19.77 8.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 63.02 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -53.4 -40.71 65.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 54.42 111.16 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.7 58.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 72.32 112.463 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.83 -78.37 0.79 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 75.03 112.494 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -124.54 142.11 51.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 74.11 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.44 111.096 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.53 -0.228 . . . . 74.31 112.53 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.11 -47.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 63.42 111.152 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 tp 176.73 131.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 61.12 110.866 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 -118.48 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.528 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -157.97 -71.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 64.31 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.7 t70 -55.98 -88.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.825 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.17 165.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.079 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.694 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.28 -8.54 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.21 -22.13 2.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 65.24 112.461 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.4 mm -91.13 166.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.34 111.161 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.47 ' H ' HG22 ' A' ' 10' ' ' ILE . 25.2 m -100.27 -15.68 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 52.23 111.124 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 10' ' ' ILE . 11.7 mt -51.03 167.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -71.36 -59.62 3.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 73.32 110.936 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 86.51 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.619 2.213 . . . . 61.43 112.391 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -116.54 -177.22 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -95.17 -176.13 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 21.7 m-85 -80.29 172.85 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.881 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 tttp -73.9 -58.58 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 62.13 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.79 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 72.15 112.344 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 51.1 mm -47.62 -71.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.5 m -101.77 113.69 27.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.55 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.62 ' O ' HD23 ' A' ' 25' ' ' LEU . 49.2 mt -108.11 132.38 21.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.731 . . . . 73.33 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -40.37 5.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 74.24 112.333 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -95.74 24.14 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 60.5 111.129 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 22' ' ' ILE . 4.6 pp -50.32 154.44 2.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.718 . . . . 74.14 110.899 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.14 25.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 73.52 112.317 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -174.66 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.719 2.279 . . . . 62.32 112.353 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 51.72 29.39 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 63.02 110.947 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -52.2 -35.81 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 54.42 111.141 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.19 45.73 1.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.75 . . . . 72.32 112.497 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.55 -55.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 75.03 112.532 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -131.29 74.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 74.11 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.089 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.669 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 74.31 112.474 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.93 -46.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 63.42 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 4' ' ' GLY . 4.9 tp 174.8 136.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 61.12 110.944 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.614 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -179.93 -114.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 63.24 112.516 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -143.89 -75.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 64.31 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.31 -80.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.849 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.01 163.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.22 111.085 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.84 -22.19 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 75.51 110.916 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.39 -28.34 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 65.24 112.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.97 158.34 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 73.34 111.116 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.4 m -53.25 -27.61 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 52.23 111.151 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.823 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.9 mt -62.78 142.24 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.65 -57.99 0.57 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 73.32 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.88 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 61.43 112.344 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.76 -167.76 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.914 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 t -44.64 154.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.847 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -57.74 170.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.8 tttm -68.06 -58.22 8.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 62.13 110.887 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.3 Cg_endo -69.84 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 72.15 112.318 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 mm -54.43 -26.15 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 73.31 111.116 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.7 m -146.11 93.56 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.55 110.875 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.57 132.79 22.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 73.33 111.104 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.89 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 74.24 112.371 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -69.08 -19.48 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 60.5 111.149 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.09 159.65 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 74.14 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.8 23.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 73.52 112.35 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 178.57 4.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 62.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -117.26 -29.34 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 63.02 110.897 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -64.73 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 54.42 111.106 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.5 -19.73 68.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 72.32 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.7 -27.48 27.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.03 112.482 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -123.81 172.36 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 74.11 110.891 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 74.44 111.114 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.69 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.91 -47.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 63.42 111.13 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 4' ' ' GLY . 5.5 tp 174.81 135.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 61.12 110.911 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -178.27 -114.89 0.43 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.5 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.53 -68.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 64.31 110.918 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -79.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.53 110.895 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.72 162.86 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.111 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.08 -21.81 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.82 -29.28 1.98 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 65.24 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.1 158.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 73.34 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 m -52.67 -28.58 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 52.23 111.099 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.814 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.8 mt -61.67 142.87 56.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.931 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -81.78 -58.06 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 73.32 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.87 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 83.2 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.742 2.294 . . . . 61.43 112.333 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.2 -167.79 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.925 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 t -45.99 152.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 86.8 m-85 -54.49 169.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 ttpp -66.87 -57.91 10.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 62.13 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 72.15 112.311 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mm -52.2 -27.92 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.142 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -144.74 89.56 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.55 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 23' ' ' PRO . 68.9 mt -98.43 133.05 23.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 73.33 111.129 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.4 Cg_endo -69.72 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 74.24 112.332 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -63.0 -21.8 66.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.162 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.1 159.72 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 74.14 110.92 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 167.69 23.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.272 . . . . 73.52 112.327 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.29 4.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 62.32 112.331 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.43 19.83 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 63.02 110.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.7 m -103.26 69.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 54.42 111.15 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.89 24.65 7.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 72.32 112.465 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.17 29.66 19.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.508 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -66.82 101.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 74.11 110.855 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.44 111.076 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 74.31 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 m -154.16 -46.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 63.42 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.6 tp 177.78 132.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.98 -121.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 63.24 112.502 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -151.46 -73.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 64.31 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.1 t70 -60.54 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 177.82 167.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.19 -9.38 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.874 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -24.01 1.87 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 65.24 112.464 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.676 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -89.45 166.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.155 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.462 ' H ' HG22 ' A' ' 10' ' ' ILE . 28.2 m -101.22 -16.03 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 52.23 111.108 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.618 HD12 HG21 ' A' ' 10' ' ' ILE . 8.7 mt -50.76 168.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.933 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.66 -59.4 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.654 0.74 . . . . 73.32 110.943 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.75 2.3 . . . . 61.43 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.676 HD11 ' HB ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -117.47 179.81 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.898 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.55 174.45 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.85 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -65.94 169.82 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.45 -58.62 6.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 62.13 110.907 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.76 -16.19 37.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 72.15 112.356 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -102.88 152.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.122 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m 60.72 61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.55 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 23' ' ' PRO . 66.1 mt -103.73 133.11 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 73.33 111.084 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.7 Cg_endo -69.8 -46.38 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 74.24 112.33 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.3 4.28 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 60.5 111.145 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 61.59 160.93 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.693 . . . . 74.14 110.915 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.615 ' HD2' HD23 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.76 112.52 3.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 73.52 112.359 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' PRO . 52.9 Cg_endo -69.86 -175.44 1.18 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 62.32 112.305 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -111.43 -36.08 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.0 m -66.55 -41.57 88.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 54.42 111.104 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.1 22.56 37.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.747 . . . . 72.32 112.479 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.72 -25.33 6.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 75.03 112.501 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -108.83 90.24 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 74.11 110.827 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.111 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.545 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.25 -46.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 63.42 111.141 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.1 tp 179.27 139.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.12 110.893 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.581 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 147.5 -133.17 4.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 63.24 112.453 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -135.26 -61.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 64.31 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.41 177.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.9 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.24 117.15 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.1 pt-20 -72.84 -17.04 61.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.886 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.06 -18.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 65.24 112.471 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -89.22 164.1 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 73.34 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 12.5 m -95.87 -16.95 21.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 52.23 111.168 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.24 168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.97 -59.28 2.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.699 . . . . 73.32 110.918 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.81 96.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.658 2.239 . . . . 61.43 112.321 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.646 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.61 165.54 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.0 t -69.27 152.22 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 71.34 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -62.49 169.31 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.5 tttt -67.69 -58.78 7.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.707 . . . . 62.13 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.4 Cg_endo -69.69 -47.49 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 72.15 112.364 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.087 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.547 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.507 -0.237 . . . . 74.31 112.507 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.3 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 63.42 111.186 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 4' ' ' GLY . 13.5 tp 179.24 137.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 61.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.576 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 148.47 -134.1 4.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -134.73 -60.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 64.31 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.57 177.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.843 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.53 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.22 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.649 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.0 pt-20 -73.6 -17.54 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.893 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.39 -18.6 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 65.24 112.496 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.683 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.8 164.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 73.34 111.135 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 35.9 m -95.84 -17.04 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.13 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.18 168.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.968 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.99 -59.31 2.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 73.32 110.904 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.552 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 96.71 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 61.43 112.327 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.51 165.64 16.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.19 153.72 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.887 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -63.12 170.83 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.837 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 8.7 ttpp -67.95 -58.96 7.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 62.13 110.874 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.0 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 72.15 112.346 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 73.31 111.144 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.482 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 74.31 112.527 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.42 -46.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 63.42 111.134 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 4' ' ' GLY . 13.8 tp 179.25 138.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.12 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.35 -139.75 8.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 63.24 112.517 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -128.87 -60.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 64.31 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.864 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.09 116.84 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.22 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.641 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.8 pt-20 -72.13 -16.95 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.896 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -18.34 0.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 65.24 112.503 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 12' ' ' LEU . 3.3 mm -89.14 163.85 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 73.34 111.133 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 10' ' ' ILE . 42.0 m -95.33 -16.79 22.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.23 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 10' ' ' ILE . 7.8 mt -51.28 168.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.856 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.12 -59.4 2.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 73.32 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.79 96.57 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 61.43 112.318 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.35 163.97 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.42 110.891 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.76 154.07 40.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -66.72 164.04 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.0 ttpt -68.15 -58.67 7.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 62.13 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.2 Cg_endo -69.65 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 72.15 112.364 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.117 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.454 -0.258 . . . . 74.31 112.454 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -153.43 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 63.42 111.13 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 4' ' ' GLY . 16.8 tp 179.76 141.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.602 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 150.08 -126.86 2.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.53 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -142.46 -57.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 64.31 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.25 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.831 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.0 115.49 21.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.64 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.9 pt-20 -72.24 -17.94 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.26 -17.38 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 65.24 112.538 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.33 163.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 73.34 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.6 m -95.31 -16.29 22.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 52.23 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 10' ' ' ILE . 8.2 mt -51.45 168.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -72.83 -59.33 2.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 73.32 110.925 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.557 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.75 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 61.43 112.348 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.2 mm? -122.84 161.39 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.932 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.94 171.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.879 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -83.65 172.81 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.858 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.2 ttmt -68.54 -59.3 5.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 62.13 110.945 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.72 -17.41 37.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 72.15 112.404 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 111.115 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.568 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.37 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 63.42 111.149 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.59 HD12 ' H ' ' A' ' 4' ' ' GLY . 15.3 tp 179.34 139.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 61.12 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.69 -134.98 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 63.24 112.489 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -133.67 -59.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 64.31 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -55.89 178.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.19 116.95 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.22 111.092 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.637 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.6 pt-20 -72.9 -17.78 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.9 -18.19 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.24 112.464 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.693 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.23 163.97 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 73.34 111.083 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -95.65 -16.53 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 52.23 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 HG21 ' A' ' 10' ' ' ILE . 7.9 mt -51.36 169.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.901 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.07 -59.43 2.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.645 0.736 . . . . 73.32 110.877 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.72 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 61.43 112.339 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.2 mm? -122.58 163.45 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 63.42 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.77 156.91 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.49 169.36 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 tttt -67.75 -58.87 7.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 62.13 110.836 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.71 -40.93 4.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 72.15 112.348 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 73.31 111.171 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.499 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.47 -0.252 . . . . 74.31 112.47 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.28 -46.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 63.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 4' ' ' GLY . 12.3 tp 179.36 138.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.567 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 143.98 -141.8 10.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 63.24 112.423 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.56 -60.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 64.31 110.903 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -52.23 171.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 73.53 110.871 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.57 116.56 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.1 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.5 pt-20 -71.91 -17.74 62.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.915 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.44 -18.51 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 65.24 112.506 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.14 164.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 73.34 111.134 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 24.6 m -95.21 -17.61 21.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 52.23 111.131 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.695 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -51.1 168.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.952 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.19 -59.38 2.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.697 . . . . 73.32 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.76 96.96 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 61.43 112.354 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.99 163.73 18.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 63.42 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.18 151.33 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.16 162.29 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.841 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 9.8 tttt -69.16 -58.77 5.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 62.13 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.75 -6.75 19.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 72.15 112.318 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.31 111.159 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.604 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.1 -44.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 63.42 111.14 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 tp 179.16 130.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 -125.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 63.24 112.476 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -142.43 -64.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 64.31 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -173.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.43 115.66 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.625 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.7 pt-20 -70.8 -17.22 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 75.51 110.888 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.45 -17.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 65.24 112.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.83 164.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 73.34 111.113 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.3 m -94.99 -16.61 22.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.175 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 10' ' ' ILE . 8.8 mt -51.28 168.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.94 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.04 -59.32 2.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 73.32 110.925 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.531 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.721 2.28 . . . . 61.43 112.362 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.93 161.6 22.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 63.42 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.62 162.23 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.97 171.03 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 22.6 tttt -68.47 -58.68 6.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 62.13 110.886 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.74 -11.98 32.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 72.15 112.337 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.138 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 74.31 112.46 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.14 -46.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 63.42 111.125 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 177.79 132.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 61.12 110.942 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.91 -119.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.796 -0.716 . . . . 63.24 112.501 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -151.91 -74.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 64.31 110.898 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.6 t70 -60.01 -87.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.811 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . . . 177.92 166.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.22 111.12 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.675 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.7 pt-20 -119.41 -10.81 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.8 -24.3 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 65.24 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -88.76 166.63 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 73.34 111.11 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.454 ' H ' HG22 ' A' ' 10' ' ' ILE . 20.6 m -101.06 -15.87 17.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 52.23 111.164 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 10' ' ' ILE . 10.5 mt -50.9 168.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.932 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.8 -59.38 3.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 73.32 110.961 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.232 . . . . 61.43 112.348 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -117.85 179.27 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 175.63 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -66.23 170.65 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 71.33 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.1 ttpp -64.33 -58.58 13.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 62.13 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.77 -43.86 2.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 72.15 112.352 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.111 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.439 -0.264 . . . . 74.31 112.439 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -154.32 -46.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 63.42 111.109 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.3 tp 177.94 132.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 61.12 110.935 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.9 -119.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -152.15 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 64.31 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.0 t70 -59.58 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.53 110.843 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 178.12 166.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.685 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.8 pt-20 -119.47 -10.83 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.905 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.01 -23.48 1.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 65.24 112.46 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.1 mm -90.05 167.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.176 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.471 ' H ' HG22 ' A' ' 10' ' ' ILE . 27.0 m -101.87 -15.78 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 52.23 111.111 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.604 HD12 HG21 ' A' ' 10' ' ' ILE . 9.0 mt -51.08 168.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.53 -59.35 3.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 73.32 110.937 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.7 Cg_endo -69.74 86.83 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.742 2.294 . . . . 61.43 112.325 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -118.0 178.91 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 63.42 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 174.73 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.7 169.59 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 3.6 tttp -65.59 -58.61 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 62.13 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.81 -40.63 5.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 72.15 112.345 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.156 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.812 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.245 . . . . 74.31 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.66 -46.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 63.42 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.21 138.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.918 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.573 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 148.27 -131.94 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.737 . . . . 63.24 112.458 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.17 -60.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 64.31 110.868 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.32 179.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.53 110.877 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.76 125.59 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.22 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.6 pt-20 -82.73 1.03 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.04 19.87 1.72 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 65.24 112.434 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.836 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.37 150.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 73.34 111.108 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -77.1 -21.99 53.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 52.23 111.14 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.695 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.0 mt -46.39 161.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.916 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -75.27 -59.87 1.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 73.32 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.73 93.14 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.254 . . . . 61.43 112.403 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.3 mm? -122.76 169.73 10.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 63.42 110.944 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 t -69.03 162.53 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.86 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -67.55 170.54 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 11.1 ttpt -67.89 -58.8 7.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 62.13 110.939 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.8 -21.6 33.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 72.15 112.316 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.178 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.805 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 74.31 112.458 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -153.48 -46.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 63.42 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.91 139.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.941 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.567 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.2 -137.48 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 63.24 112.486 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -131.65 -58.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 64.31 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.07 179.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.32 125.58 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.155 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.701 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -83.5 0.95 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.89 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.05 19.85 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 65.24 112.515 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.831 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.51 150.46 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 73.34 111.128 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 m -77.32 -21.97 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 52.23 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.693 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.7 mt -46.48 161.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -74.89 -59.89 1.33 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.77 93.33 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.63 2.22 . . . . 61.43 112.363 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.4 mm? -123.3 168.78 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 63.42 110.881 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.82 159.92 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.835 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.41 168.1 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -68.4 -58.59 7.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 62.13 110.85 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.2 Cg_endo -69.76 -23.72 30.47 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 72.15 112.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.5 mm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.123 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 74.31 112.494 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -154.3 -47.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 63.42 111.125 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.7 tp 176.13 132.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.943 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 174.87 -121.71 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 63.24 112.472 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -152.23 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 64.31 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 20.4 t70 -61.63 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.828 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.02 168.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 75.22 111.11 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.692 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.2 pt-20 -122.63 -7.49 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.92 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -23.33 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 65.24 112.471 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.673 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.2 mm -89.97 167.13 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 73.34 111.138 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.461 ' H ' HG22 ' A' ' 10' ' ' ILE . 37.6 m -101.14 -16.38 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 52.23 111.125 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -50.75 167.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.99 -59.48 3.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.551 0.691 . . . . 73.32 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.68 85.45 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.259 . . . . 61.43 112.326 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -115.91 178.77 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.928 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -98.54 166.96 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.905 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.446 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 31.7 m-85 -62.46 169.77 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.882 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -73.33 -58.24 2.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.536 0.684 . . . . 62.13 110.905 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.9 Cg_endo -69.76 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 72.15 112.33 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 37.7 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.124 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.679 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 74.31 112.5 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.91 -47.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 63.42 111.08 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 174.29 136.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 61.12 110.921 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.577 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 178.95 -112.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 63.24 112.479 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -148.74 -75.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 64.31 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.2 -81.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.883 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -179.08 162.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.096 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -105.63 -21.8 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.889 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -29.34 1.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 65.24 112.474 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 11' ' ' THR . 7.5 mm -67.32 158.27 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 73.34 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 10' ' ' ILE . 7.5 m -52.88 -28.2 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.83 ' CB ' HD21 ' A' ' 15' ' ' LEU . 82.3 mt -62.22 141.66 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.885 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.64 -57.88 0.58 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 73.32 110.927 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.887 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 83.62 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 61.43 112.34 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 14' ' ' PRO . 15.1 mt -135.26 -166.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.925 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -43.94 155.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.895 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -63.57 167.89 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 tttp -67.05 -58.41 9.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.532 0.682 . . . . 62.13 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.77 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.653 2.235 . . . . 72.15 112.383 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.133 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.818 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -153.07 -44.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 63.42 111.16 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.6 tp 179.48 138.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 61.12 110.952 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.46 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.21 -137.04 6.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 63.24 112.484 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -133.13 -57.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 64.31 110.883 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.23 -179.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.62 127.06 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.709 ' H ' HD12 ' A' ' 15' ' ' LEU . 12.7 pt-20 -86.66 5.82 34.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.883 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 10' ' ' ILE . . . 122.77 20.79 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 65.24 112.47 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.77 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.7 mm -126.79 162.33 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 73.34 111.121 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -90.41 -21.9 21.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.128 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 10' ' ' ILE . 6.3 mt -51.12 161.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 74.22 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.25 -59.51 2.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.702 . . . . 73.32 110.853 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.75 94.68 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 61.43 112.344 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.818 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.8 mm? -123.66 173.5 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 63.42 110.952 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.39 157.03 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.891 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.96 170.05 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.4 tttm -67.97 -58.9 7.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 62.13 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.76 -48.42 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.746 2.297 . . . . 72.15 112.331 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.31 111.146 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.53 -0.228 . . . . 74.31 112.53 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.11 -47.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 63.42 111.152 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 tp 176.73 131.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 61.12 110.866 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 -118.48 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.528 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -157.97 -71.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 64.31 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.7 t70 -55.98 -88.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.825 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.17 165.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.079 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.694 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.28 -8.54 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.21 -22.13 2.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 65.24 112.461 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.4 mm -91.13 166.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.34 111.161 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.47 ' H ' HG22 ' A' ' 10' ' ' ILE . 25.2 m -100.27 -15.68 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 52.23 111.124 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 10' ' ' ILE . 11.7 mt -51.03 167.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -71.36 -59.62 3.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 73.32 110.936 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 86.51 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.619 2.213 . . . . 61.43 112.391 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -116.54 -177.22 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -95.17 -176.13 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 21.7 m-85 -80.29 172.85 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.881 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 tttp -73.9 -58.58 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 62.13 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.79 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 72.15 112.344 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 51.1 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.669 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 74.31 112.474 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.93 -46.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 63.42 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 4' ' ' GLY . 4.9 tp 174.8 136.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 61.12 110.944 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.614 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -179.93 -114.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 63.24 112.516 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -143.89 -75.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 64.31 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.31 -80.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.849 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.01 163.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.22 111.085 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.84 -22.19 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 75.51 110.916 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.39 -28.34 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 65.24 112.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.97 158.34 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 73.34 111.116 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.4 m -53.25 -27.61 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 52.23 111.151 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.823 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.9 mt -62.78 142.24 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.53 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.65 -57.99 0.57 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 73.32 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.88 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 61.43 112.344 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.76 -167.76 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.914 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 t -44.64 154.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.847 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -57.74 170.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.8 tttm -68.06 -58.22 8.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 62.13 110.887 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.3 Cg_endo -69.84 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 72.15 112.318 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 73.31 111.116 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.69 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.91 -47.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 63.42 111.13 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 4' ' ' GLY . 5.5 tp 174.81 135.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 61.12 110.911 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -178.27 -114.89 0.43 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.5 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.53 -68.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 64.31 110.918 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -79.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.53 110.895 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.72 162.86 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.111 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.08 -21.81 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.82 -29.28 1.98 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 65.24 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.1 158.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 73.34 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 m -52.67 -28.58 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 52.23 111.099 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.814 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.8 mt -61.67 142.87 56.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.931 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -81.78 -58.06 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 73.32 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.87 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 83.2 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.742 2.294 . . . . 61.43 112.333 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.2 -167.79 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.925 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 t -45.99 152.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 86.8 m-85 -54.49 169.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 ttpp -66.87 -57.91 10.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 62.13 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 72.15 112.311 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 74.31 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 m -154.16 -46.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 63.42 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.6 tp 177.78 132.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.98 -121.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 63.24 112.502 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -151.46 -73.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 64.31 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.1 t70 -60.54 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 177.82 167.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.19 -9.38 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.874 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -24.01 1.87 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 65.24 112.464 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.676 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -89.45 166.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.155 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.462 ' H ' HG22 ' A' ' 10' ' ' ILE . 28.2 m -101.22 -16.03 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 52.23 111.108 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.618 HD12 HG21 ' A' ' 10' ' ' ILE . 8.7 mt -50.76 168.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.933 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.66 -59.4 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.654 0.74 . . . . 73.32 110.943 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.75 2.3 . . . . 61.43 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.676 HD11 ' HB ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -117.47 179.81 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.898 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.55 174.45 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.85 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -65.94 169.82 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.45 -58.62 6.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 62.13 110.907 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.76 -16.19 37.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 72.15 112.356 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.122 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.545 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.25 -46.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 63.42 111.141 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.581 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.1 tp 179.27 139.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.12 110.893 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.581 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 147.5 -133.17 4.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 63.24 112.453 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -135.26 -61.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 64.31 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.41 177.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.9 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.24 117.15 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.1 pt-20 -72.84 -17.04 61.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.886 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.06 -18.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 65.24 112.471 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -89.22 164.1 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 73.34 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 12.5 m -95.87 -16.95 21.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 52.23 111.168 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.24 168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.97 -59.28 2.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.699 . . . . 73.32 110.918 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.554 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.81 96.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.658 2.239 . . . . 61.43 112.321 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.646 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.61 165.54 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 63.42 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.354 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 23.0 t -69.27 152.22 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 71.34 110.87 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -62.49 169.31 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.5 tttt -67.69 -58.78 7.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.707 . . . . 62.13 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.4 Cg_endo -69.69 -47.49 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 72.15 112.364 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.6 mm -53.95 -29.9 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.087 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.354 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 47.8 m -138.95 92.74 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.55 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 23' ' ' PRO . 66.7 mt -104.69 133.07 20.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 73.33 111.111 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.9 Cg_endo -69.74 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.615 2.21 . . . . 74.24 112.392 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -61.04 -22.47 64.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 60.5 111.145 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 62.39 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 74.14 110.94 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 167.75 23.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 73.52 112.349 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.25 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.69 2.26 . . . . 62.32 112.343 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -121.04 46.03 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t -106.88 -29.46 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.42 111.178 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 19.68 50.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 72.32 112.511 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.7 19.75 38.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.523 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -87.14 -59.74 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 74.11 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.118 179.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.547 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.507 -0.237 . . . . 74.31 112.507 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.3 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 63.42 111.186 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 4' ' ' GLY . 13.5 tp 179.24 137.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 61.12 110.932 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.576 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 148.47 -134.1 4.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -134.73 -60.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 64.31 110.897 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.57 177.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.843 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.33 117.53 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.22 111.098 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.649 ' H ' HD12 ' A' ' 15' ' ' LEU . 16.0 pt-20 -73.6 -17.54 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.893 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.39 -18.6 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 65.24 112.496 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.683 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.8 164.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 73.34 111.135 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 10' ' ' ILE . 35.9 m -95.84 -17.04 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.13 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.683 HD12 HG21 ' A' ' 10' ' ' ILE . 7.5 mt -51.18 168.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.968 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -72.99 -59.31 2.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 73.32 110.904 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.552 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 96.71 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 61.43 112.327 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.51 165.64 16.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.19 153.72 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.34 110.887 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -63.12 170.83 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.837 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 8.7 ttpp -67.95 -58.96 7.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 62.13 110.874 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.0 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 72.15 112.346 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.3 mm -53.02 -30.01 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 73.31 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -139.04 92.88 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.55 110.887 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.421 HG23 ' HD2' ' A' ' 23' ' ' PRO . 60.2 mt -101.07 133.01 21.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 73.33 111.163 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.8 Cg_endo -69.77 -48.15 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.638 2.226 . . . . 74.24 112.375 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -64.27 -21.2 66.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.184 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 61.45 160.68 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 74.14 110.918 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HD2' HD23 ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 167.77 23.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 73.52 112.334 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.92 4.08 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 62.32 112.385 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.94 59.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 63.02 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -118.52 -34.61 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 54.42 111.131 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.92 -18.91 60.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 72.32 112.497 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.02 -34.41 87.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 75.03 112.451 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -100.02 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 74.11 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.05 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 74.31 112.527 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.42 -46.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 63.42 111.134 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 4' ' ' GLY . 13.8 tp 179.25 138.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.12 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.35 -139.75 8.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 63.24 112.517 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -128.87 -60.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 64.31 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -53.91 175.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.864 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.09 116.84 30.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.22 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.641 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.8 pt-20 -72.13 -16.95 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.896 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -18.34 0.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 65.24 112.503 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 12' ' ' LEU . 3.3 mm -89.14 163.85 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 73.34 111.133 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 10' ' ' ILE . 42.0 m -95.33 -16.79 22.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.23 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 10' ' ' ILE . 7.8 mt -51.28 168.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.856 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.12 -59.4 2.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 73.32 110.914 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.79 96.57 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.697 2.265 . . . . 61.43 112.318 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.1 mm? -122.35 163.97 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.42 110.891 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.7 t -65.76 154.07 40.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -66.72 164.04 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.0 ttpt -68.15 -58.67 7.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 62.13 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.2 Cg_endo -69.65 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 72.15 112.364 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.3 mm -100.61 -23.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.117 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -143.42 104.59 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.55 110.868 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG23 ' HD2' ' A' ' 23' ' ' PRO . 60.6 mt -117.82 133.02 23.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.65 0.738 . . . . 73.33 111.128 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.6 Cg_endo -69.76 -40.84 4.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 74.24 112.295 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 m -53.55 -25.73 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 60.5 111.165 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 mt -52.92 157.31 2.86 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.62 0.724 . . . . 74.14 110.905 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.69 23.76 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.64 2.227 . . . . 73.52 112.341 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -178.43 2.32 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.69 2.26 . . . . 62.32 112.355 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.94 48.27 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.02 110.899 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.53 31.82 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 54.42 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.06 61.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 72.32 112.519 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.52 47.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 75.03 112.539 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -140.34 122.62 15.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 74.11 110.884 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.086 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.454 -0.258 . . . . 74.31 112.454 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -153.43 -46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 63.42 111.13 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 4' ' ' GLY . 16.8 tp 179.76 141.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.602 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 150.08 -126.86 2.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.53 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -142.46 -57.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 64.31 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.25 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.831 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.0 115.49 21.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.64 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.9 pt-20 -72.24 -17.94 61.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.928 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.26 -17.38 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 65.24 112.538 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.33 163.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 73.34 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.6 m -95.31 -16.29 22.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 52.23 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 10' ' ' ILE . 8.2 mt -51.45 168.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -72.83 -59.33 2.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 73.32 110.925 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.557 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.75 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 61.43 112.348 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.2 mm? -122.84 161.39 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 63.42 110.932 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.94 171.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.879 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -83.65 172.81 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.858 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 6.2 ttmt -68.54 -59.3 5.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 62.13 110.945 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.72 -17.41 37.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.723 2.282 . . . . 72.15 112.404 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -95.81 151.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 111.115 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.7 m 58.97 61.39 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.55 110.864 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 23' ' ' PRO . 71.6 mt -96.97 133.04 24.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 73.33 111.173 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.7 Cg_endo -69.77 -48.12 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.658 2.239 . . . . 74.24 112.346 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 p -62.94 -22.17 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 60.5 111.161 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.08 159.72 0.11 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.632 0.73 . . . . 74.14 110.864 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 167.74 23.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 73.52 112.353 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -172.58 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 62.32 112.368 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 tp -132.4 30.84 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.02 110.903 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 p -123.17 71.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 54.42 111.138 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.04 -24.19 4.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 72.32 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.14 65.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.479 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -74.29 -26.27 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.333 . . . . 74.11 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.44 111.13 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.568 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -153.37 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 63.42 111.149 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.59 HD12 ' H ' ' A' ' 4' ' ' GLY . 15.3 tp 179.34 139.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 61.12 110.936 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.69 -134.98 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 63.24 112.489 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -133.67 -59.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 64.31 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -55.89 178.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.19 116.95 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.22 111.092 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.637 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.6 pt-20 -72.9 -17.78 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.9 -18.19 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.24 112.464 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.693 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.23 163.97 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 73.34 111.083 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -95.65 -16.53 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 52.23 111.13 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 HG21 ' A' ' 10' ' ' ILE . 7.9 mt -51.36 169.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.901 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.07 -59.43 2.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.645 0.736 . . . . 73.32 110.877 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.72 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.258 . . . . 61.43 112.339 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 8' ' ' GLU . 2.2 mm? -122.58 163.45 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 63.42 110.875 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.77 156.91 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -69.49 169.36 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 tttt -67.75 -58.87 7.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 62.13 110.836 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.71 -40.93 4.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 72.15 112.348 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 mm -63.77 -25.49 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 73.31 111.171 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -143.23 94.87 2.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.55 110.837 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.668 ' CG2' HG22 ' A' ' 24' ' ' THR . 6.2 mt -95.07 131.59 29.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 73.33 111.136 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -32.11 18.86 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.695 2.263 . . . . 74.24 112.334 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.668 HG22 ' CG2' ' A' ' 22' ' ' ILE . 11.1 t -53.49 -23.98 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 60.5 111.148 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD12 ' HB ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -50.0 160.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 74.14 110.899 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.75 23.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 73.52 112.397 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.239 . . . . 62.32 112.354 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 tp -116.56 27.35 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 63.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 54.42 111.172 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.22 -19.31 51.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.67 -0.776 . . . . 72.32 112.53 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.11 48.98 0.88 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 75.03 112.506 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -81.19 79.98 7.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 74.11 110.833 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.093 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.499 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.47 -0.252 . . . . 74.31 112.47 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -153.28 -46.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.33 . . . . 63.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 4' ' ' GLY . 12.3 tp 179.36 138.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.567 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 143.98 -141.8 10.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 63.24 112.423 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.56 -60.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 64.31 110.903 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -52.23 171.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 73.53 110.871 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.57 116.56 31.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.1 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.629 ' H ' HD12 ' A' ' 15' ' ' LEU . 15.5 pt-20 -71.91 -17.74 62.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.915 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.44 -18.51 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 65.24 112.506 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 12' ' ' LEU . 3.2 mm -88.14 164.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 73.34 111.134 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 24.6 m -95.21 -17.61 21.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 52.23 111.131 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.695 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -51.1 168.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.952 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.19 -59.38 2.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.697 . . . . 73.32 110.897 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.76 96.96 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 61.43 112.354 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.99 163.73 18.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 63.42 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.18 151.33 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.16 162.29 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.841 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 9.8 tttt -69.16 -58.77 5.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 62.13 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.8 Cg_endo -69.75 -6.75 19.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 72.15 112.318 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.73 -23.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 73.31 111.159 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -132.13 100.61 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 73.55 110.905 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 25' ' ' LEU . 43.9 mm -133.53 131.64 21.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 73.33 111.107 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.08 6.87 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.264 . . . . 74.24 112.365 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -67.74 -15.88 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 60.5 111.172 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 22' ' ' ILE . 44.8 mt -91.09 157.11 43.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 74.14 110.9 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 167.64 23.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 73.52 112.367 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -172.28 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.257 . . . . 62.32 112.389 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 pp -112.0 -32.85 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 63.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 54.42 111.151 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -20.59 75.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 72.32 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.05 -39.68 70.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 75.03 112.497 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -105.4 147.5 28.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 74.11 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.115 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.604 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 74.31 112.502 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.1 -44.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 63.42 111.14 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 tp 179.16 130.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.84 -125.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 63.24 112.476 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -142.43 -64.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 64.31 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -173.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.43 115.66 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.625 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.7 pt-20 -70.8 -17.22 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 75.51 110.888 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.45 -17.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 65.24 112.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 12' ' ' LEU . 3.4 mm -89.83 164.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 73.34 111.113 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 10' ' ' ILE . 3.3 m -94.99 -16.61 22.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.23 111.175 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 10' ' ' ILE . 8.8 mt -51.28 168.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.94 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.04 -59.32 2.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 73.32 110.925 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.531 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.721 2.28 . . . . 61.43 112.362 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.9 mm? -121.93 161.6 22.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 63.42 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.62 162.23 28.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.97 171.03 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.845 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 22.6 tttt -68.47 -58.68 6.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 62.13 110.886 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.74 -11.98 32.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 72.15 112.337 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -106.85 153.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.138 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.5 m 60.16 59.65 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 73.55 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG23 ' HD2' ' A' ' 23' ' ' PRO . 69.9 mt -111.87 133.11 21.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 73.33 111.097 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.7 Cg_endo -69.74 -46.7 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 74.24 112.344 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.0 p -66.89 -19.75 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 60.5 111.162 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.17 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.585 0.707 . . . . 74.14 110.907 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.267 . . . . 73.52 112.331 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -166.69 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 62.32 112.35 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -122.98 31.93 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 63.02 110.888 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.5 m -80.57 -28.86 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.42 111.145 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.0 19.32 41.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 72.32 112.478 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.42 -25.77 5.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 75.03 112.499 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 74.11 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 74.31 112.46 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.14 -46.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 63.42 111.125 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 177.79 132.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 61.12 110.942 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.91 -119.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.796 -0.716 . . . . 63.24 112.501 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -151.91 -74.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 64.31 110.898 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.6 t70 -60.01 -87.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.811 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . . . 177.92 166.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 75.22 111.12 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.675 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.7 pt-20 -119.41 -10.81 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 75.51 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.8 -24.3 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 65.24 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -88.76 166.63 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 73.34 111.11 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.454 ' H ' HG22 ' A' ' 10' ' ' ILE . 20.6 m -101.06 -15.87 17.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 52.23 111.164 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 10' ' ' ILE . 10.5 mt -50.9 168.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.932 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.8 -59.38 3.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 73.32 110.961 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.232 . . . . 61.43 112.348 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.675 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -117.85 179.27 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 175.63 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.923 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -66.23 170.65 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 71.33 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.1 ttpp -64.33 -58.58 13.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 62.13 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.77 -43.86 2.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 72.15 112.352 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.84 150.13 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.111 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m 61.16 52.82 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.55 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG23 ' HD2' ' A' ' 23' ' ' PRO . 58.1 mt -62.23 133.07 94.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 73.33 111.144 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.4 Cg_endo -69.81 -48.39 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 74.24 112.326 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -93.56 19.81 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 60.5 111.16 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.93 160.75 0.12 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 74.14 110.892 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.64 23.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 73.52 112.308 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -175.26 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 62.32 112.356 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt 55.94 56.31 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 63.02 110.926 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.28 24.22 11.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 54.42 111.123 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.17 18.5 5.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 72.32 112.485 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.48 -67.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 75.03 112.496 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -51.99 -30.2 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 74.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.44 111.138 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.439 -0.264 . . . . 74.31 112.439 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -154.32 -46.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 63.42 111.109 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.3 tp 177.94 132.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 61.12 110.935 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.9 -119.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 63.24 112.494 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -152.15 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 64.31 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.0 t70 -59.58 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.53 110.843 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 178.12 166.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.22 111.076 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.685 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.8 pt-20 -119.47 -10.83 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.905 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.01 -23.48 1.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 65.24 112.46 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.1 mm -90.05 167.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.176 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.471 ' H ' HG22 ' A' ' 10' ' ' ILE . 27.0 m -101.87 -15.78 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 52.23 111.111 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.604 HD12 HG21 ' A' ' 10' ' ' ILE . 9.0 mt -51.08 168.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.53 -59.35 3.94 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 73.32 110.937 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.7 Cg_endo -69.74 86.83 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.742 2.294 . . . . 61.43 112.325 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 8' ' ' GLU . 1.1 mm? -118.0 178.91 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 63.42 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 174.73 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.7 169.59 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 3.6 tttp -65.59 -58.61 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 62.13 110.882 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.81 -40.63 5.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 72.15 112.345 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -75.05 153.81 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.156 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.1 m 59.83 60.59 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.55 110.875 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' HB ' HD23 ' A' ' 25' ' ' LEU . 18.0 mt -77.25 132.04 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 73.33 111.163 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -44.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 74.24 112.324 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.75 -25.18 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 60.5 111.184 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD23 ' HB ' ' A' ' 22' ' ' ILE . 3.9 mm? -77.18 159.18 78.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 74.14 110.966 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.71 23.63 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.753 2.302 . . . . 73.52 112.308 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.82 5.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.259 . . . . 62.32 112.333 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.97 41.75 8.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -56.16 -31.55 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 54.42 111.112 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.08 -19.6 46.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.32 112.528 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.89 -87.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 75.03 112.466 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -97.55 117.76 32.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 74.11 110.878 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.44 111.108 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.812 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.245 . . . . 74.31 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.66 -46.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 63.42 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.21 138.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.918 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.573 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 148.27 -131.94 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.737 . . . . 63.24 112.458 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.17 -60.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 64.31 110.868 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.32 179.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.53 110.877 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.76 125.59 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.22 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.689 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.6 pt-20 -82.73 1.03 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.04 19.87 1.72 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 65.24 112.434 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.836 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.37 150.46 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 73.34 111.108 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -77.1 -21.99 53.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 52.23 111.14 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.695 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.0 mt -46.39 161.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.916 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -75.27 -59.87 1.24 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 73.32 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' HD22 ' A' ' 15' ' ' LEU . 54.0 Cg_endo -69.73 93.14 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.254 . . . . 61.43 112.403 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.3 mm? -122.76 169.73 10.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 63.42 110.944 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.6 t -69.03 162.53 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.86 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -67.55 170.54 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 11.1 ttpt -67.89 -58.8 7.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 62.13 110.939 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.5 Cg_endo -69.8 -21.6 33.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 72.15 112.316 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -96.23 155.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 33.3 m 63.41 52.99 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.925 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mt -90.84 132.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.731 . . . . 73.33 111.144 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.46 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 74.24 112.316 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -71.45 -16.89 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 60.5 111.138 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 62.37 160.7 0.12 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 74.14 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.574 ' HD2' HD23 ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 167.72 23.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 73.52 112.373 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -178.83 2.51 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.687 2.258 . . . . 62.32 112.389 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -118.8 54.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 63.02 110.897 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -93.84 -32.94 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.42 111.166 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.51 -22.82 46.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 72.32 112.46 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.52 -62.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.03 112.438 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -95.98 136.06 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 74.11 110.8 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.052 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.805 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 74.31 112.458 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.7 m -153.48 -46.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 63.42 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.567 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.0 tp 178.91 139.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.941 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.567 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 145.2 -137.48 7.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 63.24 112.486 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -131.65 -58.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 64.31 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.07 179.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.828 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.32 125.58 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.155 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.701 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -83.5 0.95 44.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.89 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.05 19.85 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 65.24 112.515 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.831 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.5 mt -131.51 150.46 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 73.34 111.128 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 m -77.32 -21.97 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 52.23 111.177 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.693 ' H ' HG22 ' A' ' 10' ' ' ILE . 77.7 mt -46.48 161.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -74.89 -59.89 1.33 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.77 93.33 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.63 2.22 . . . . 61.43 112.363 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD11 ' HB ' ' A' ' 10' ' ' ILE . 3.4 mm? -123.3 168.78 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 63.42 110.881 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.82 159.92 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.835 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.41 168.1 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -68.4 -58.59 7.06 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 62.13 110.85 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.2 Cg_endo -69.76 -23.72 30.47 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 72.15 112.297 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 51.5 mm -82.59 -27.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.123 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 m -139.08 91.3 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.55 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 23' ' ' PRO . 66.2 mt -99.9 133.01 21.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 73.33 111.161 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.6 Cg_endo -69.75 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.697 2.264 . . . . 74.24 112.34 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -62.58 -21.89 65.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 60.5 111.152 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.1 mt 61.03 159.67 0.11 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 74.14 110.948 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 167.69 23.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 73.52 112.346 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 62.32 112.308 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.13 -31.05 18.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 63.02 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t -68.69 -27.82 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 54.42 111.119 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.24 -19.32 45.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 72.32 112.466 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.23 92.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.457 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -117.65 -39.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 74.11 110.85 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.44 111.128 179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 74.31 112.494 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -154.3 -47.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 63.42 111.125 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.7 tp 176.13 132.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.943 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 174.87 -121.71 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 63.24 112.472 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -152.23 -68.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 64.31 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 20.4 t70 -61.63 -89.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.828 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.02 168.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 75.22 111.11 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.692 ' H ' HD12 ' A' ' 15' ' ' LEU . 14.2 pt-20 -122.63 -7.49 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.92 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -23.33 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 65.24 112.471 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.673 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.2 mm -89.97 167.13 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 73.34 111.138 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.461 ' H ' HG22 ' A' ' 10' ' ' ILE . 37.6 m -101.14 -16.38 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 52.23 111.125 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.654 HD12 HG21 ' A' ' 10' ' ' ILE . 7.3 mt -50.75 167.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.99 -59.48 3.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.551 0.691 . . . . 73.32 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.8 Cg_endo -69.68 85.45 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.688 2.259 . . . . 61.43 112.326 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -115.91 178.77 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.928 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -98.54 166.96 11.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.905 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.446 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 31.7 m-85 -62.46 169.77 2.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.882 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -73.33 -58.24 2.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.536 0.684 . . . . 62.13 110.905 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.9 Cg_endo -69.76 -50.02 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 72.15 112.33 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 37.7 mm -49.3 -47.01 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.124 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.3 m -124.06 100.98 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 73.55 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 23' ' ' PRO . 52.2 mt -99.83 132.86 22.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.33 111.137 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.8 Cg_endo -69.78 -47.41 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.285 . . . . 74.24 112.326 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.4 p -69.65 -17.7 63.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 60.5 111.135 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.03 160.6 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 74.14 110.931 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.81 23.37 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 73.52 112.35 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.06 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 62.32 112.315 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 32' ' ' HIS . 35.1 mt -114.88 -46.7 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 63.02 110.928 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m 53.81 42.22 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 54.42 111.159 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.35 -38.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.68 -0.771 . . . . 72.32 112.442 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.05 -35.17 6.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 75.03 112.473 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.64 ' HB2' HD12 ' A' ' 28' ' ' LEU . 5.1 t60 -109.14 78.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 74.11 110.863 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.036 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.679 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 74.31 112.5 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.91 -47.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 63.42 111.08 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.1 tp 174.29 136.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 61.12 110.921 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.577 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 178.95 -112.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 63.24 112.479 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -148.74 -75.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 64.31 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.2 -81.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.883 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -179.08 162.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.096 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -105.63 -21.8 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.889 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.19 -29.34 1.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 65.24 112.474 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 11' ' ' THR . 7.5 mm -67.32 158.27 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 73.34 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 10' ' ' ILE . 7.5 m -52.88 -28.2 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.83 ' CB ' HD21 ' A' ' 15' ' ' LEU . 82.3 mt -62.22 141.66 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.885 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.64 -57.88 0.58 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 73.32 110.927 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.887 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.3 Cg_endo -69.83 83.62 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 61.43 112.34 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 14' ' ' PRO . 15.1 mt -135.26 -166.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.925 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -43.94 155.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.895 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -63.57 167.89 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 tttp -67.05 -58.41 9.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.532 0.682 . . . . 62.13 110.887 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.77 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.653 2.235 . . . . 72.15 112.383 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.27 -23.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.133 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -143.68 90.34 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.55 110.947 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 23' ' ' PRO . 63.1 mt -103.46 133.06 20.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 73.33 111.119 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 22' ' ' ILE . 54.1 Cg_endo -69.79 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 74.24 112.381 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -71.96 -11.02 60.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 60.5 111.154 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.618 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 61.92 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 74.14 110.92 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HD2' HD23 ' A' ' 25' ' ' LEU . 54.4 Cg_endo -69.67 167.79 23.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 73.52 112.384 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 172.03 13.44 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.647 2.232 . . . . 62.32 112.348 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -101.87 21.67 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 m -82.72 -24.5 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 54.42 111.156 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.19 -22.06 6.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 72.32 112.499 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.83 -25.91 62.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 75.03 112.495 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -121.96 117.53 26.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 74.11 110.858 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.101 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.818 ' HA2' HD13 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 74.31 112.498 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -153.07 -44.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 63.42 111.16 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 4' ' ' GLY . 14.6 tp 179.48 138.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 61.12 110.952 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' H ' HD12 ' A' ' 3' ' ' LEU . . . 146.21 -137.04 6.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 63.24 112.484 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -133.13 -57.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 64.31 110.883 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.23 -179.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.62 127.06 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.709 ' H ' HD12 ' A' ' 15' ' ' LEU . 12.7 pt-20 -86.66 5.82 34.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.883 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 10' ' ' ILE . . . 122.77 20.79 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 65.24 112.47 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.77 ' HB ' HD11 ' A' ' 15' ' ' LEU . 4.7 mm -126.79 162.33 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 73.34 111.121 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -90.41 -21.9 21.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.128 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 10' ' ' ILE . 6.3 mt -51.12 161.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 74.22 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -73.25 -59.51 2.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.702 . . . . 73.32 110.853 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' HD22 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.75 94.68 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.273 . . . . 61.43 112.344 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.818 HD13 ' HA2' ' A' ' 1' ' ' GLY . 2.8 mm? -123.66 173.5 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 63.42 110.952 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 10.8 t -70.39 157.03 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.891 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.96 170.05 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 17.4 tttm -67.97 -58.9 7.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 62.13 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.6 Cg_endo -69.76 -48.42 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.746 2.297 . . . . 72.15 112.331 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -52.39 -37.87 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.31 111.146 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 34.2 m -131.6 96.57 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 73.55 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 23' ' ' PRO . 63.1 mt -102.77 132.91 20.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 73.33 111.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.6 Cg_endo -69.76 -47.77 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 74.24 112.35 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 p -64.43 -21.5 66.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 60.5 111.191 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.85 153.27 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 74.14 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 53.9 Cg_endo -69.79 112.45 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.254 . . . . 73.52 112.375 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 26' ' ' PRO . 54.1 Cg_endo -69.72 172.05 13.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 62.32 112.344 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mt 59.89 19.77 8.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 63.02 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -53.4 -40.71 65.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 54.42 111.16 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.7 58.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 72.32 112.463 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.83 -78.37 0.79 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 75.03 112.494 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -124.54 142.11 51.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 74.11 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.44 111.096 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.53 -0.228 . . . . 74.31 112.53 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.11 -47.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 63.42 111.152 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 tp 176.73 131.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 61.12 110.866 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.06 -118.48 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.786 -0.721 . . . . 63.24 112.528 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -157.97 -71.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 64.31 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.7 t70 -55.98 -88.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.825 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 176.17 165.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.079 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.694 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.28 -8.54 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.21 -22.13 2.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 65.24 112.461 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.4 mm -91.13 166.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.34 111.161 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.47 ' H ' HG22 ' A' ' 10' ' ' ILE . 25.2 m -100.27 -15.68 17.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 52.23 111.124 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.559 HD12 HG21 ' A' ' 10' ' ' ILE . 11.7 mt -51.03 167.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -71.36 -59.62 3.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 73.32 110.936 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 53.5 Cg_endo -69.78 86.51 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.619 2.213 . . . . 61.43 112.391 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD12 ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -116.54 -177.22 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.922 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -95.17 -176.13 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 21.7 m-85 -80.29 172.85 13.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.881 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 tttp -73.9 -58.58 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 62.13 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.7 Cg_endo -69.79 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 72.15 112.344 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 51.1 mm -47.62 -71.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.5 m -101.77 113.69 27.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.55 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.62 ' O ' HD23 ' A' ' 25' ' ' LEU . 49.2 mt -108.11 132.38 21.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.634 0.731 . . . . 73.33 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -40.37 5.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.673 2.249 . . . . 74.24 112.333 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -95.74 24.14 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 60.5 111.129 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 22' ' ' ILE . 4.6 pp -50.32 154.44 2.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.718 . . . . 74.14 110.899 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.14 25.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 73.52 112.317 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -174.66 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.719 2.279 . . . . 62.32 112.353 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 51.72 29.39 5.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 63.02 110.947 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -52.2 -35.81 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 54.42 111.141 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.19 45.73 1.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.75 . . . . 72.32 112.497 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.55 -55.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 75.03 112.532 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -131.29 74.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 74.11 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.089 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.669 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 74.31 112.474 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.93 -46.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 63.42 111.132 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 4' ' ' GLY . 4.9 tp 174.8 136.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 61.12 110.944 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.614 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -179.93 -114.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 63.24 112.516 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -143.89 -75.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 64.31 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.31 -80.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.849 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.01 163.54 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.22 111.085 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.84 -22.19 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 75.51 110.916 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.39 -28.34 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 65.24 112.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.97 158.34 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 73.34 111.116 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.4 m -53.25 -27.61 23.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 52.23 111.151 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.823 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.9 mt -62.78 142.24 58.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tp -80.65 -57.99 0.57 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 73.32 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.88 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 61.43 112.344 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.76 -167.76 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.914 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 t -44.64 154.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.847 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -57.74 170.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 18.8 tttm -68.06 -58.22 8.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 62.13 110.887 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.3 Cg_endo -69.84 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 72.15 112.318 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 mm -54.43 -26.15 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 73.31 111.116 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.7 m -146.11 93.56 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.55 110.875 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.57 132.79 22.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 73.33 111.104 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.89 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 74.24 112.371 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 m -69.08 -19.48 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 60.5 111.149 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.09 159.65 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 74.14 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.8 23.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 73.52 112.35 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 178.57 4.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 62.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -117.26 -29.34 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 63.02 110.897 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -64.73 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 54.42 111.106 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.5 -19.73 68.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 72.32 112.487 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.7 -27.48 27.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.03 112.482 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -123.81 172.36 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 74.11 110.891 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 74.44 111.114 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.69 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.478 -0.249 . . . . 74.31 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.2 m -153.91 -47.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 63.42 111.13 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 4' ' ' GLY . 5.5 tp 174.81 135.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 61.12 110.911 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 3' ' ' LEU . . . -178.27 -114.89 0.43 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.5 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -146.53 -68.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 64.31 110.918 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -79.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.53 110.895 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . . . -178.72 162.86 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.111 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.08 -21.81 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.82 -29.28 1.98 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 65.24 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 11' ' ' THR . 7.6 mm -67.1 158.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 73.34 111.121 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 m -52.67 -28.58 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 52.23 111.099 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.814 ' CB ' HD21 ' A' ' 15' ' ' LEU . 81.8 mt -61.67 142.87 56.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.931 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.7 tp -81.78 -58.06 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 73.32 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.87 ' O ' HD23 ' A' ' 15' ' ' LEU . 53.8 Cg_endo -69.75 83.2 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.742 2.294 . . . . 61.43 112.333 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 14' ' ' PRO . 14.5 mt -135.2 -167.79 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.925 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 t -45.99 152.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.904 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . 86.8 m-85 -54.49 169.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.922 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 ttpp -66.87 -57.91 10.58 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 62.13 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 53.4 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 72.15 112.311 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mm -52.2 -27.92 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.142 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.1 m -144.74 89.56 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.55 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.44 HG23 ' HD2' ' A' ' 23' ' ' PRO . 68.9 mt -98.43 133.05 23.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 73.33 111.129 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.4 Cg_endo -69.72 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 74.24 112.332 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -63.0 -21.8 66.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.162 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 mt 61.1 159.72 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 74.14 110.92 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 167.69 23.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.272 . . . . 73.52 112.327 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.29 4.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 62.32 112.331 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.43 19.83 9.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 63.02 110.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.7 m -103.26 69.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 54.42 111.15 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.89 24.65 7.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 72.32 112.465 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.17 29.66 19.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.508 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -66.82 101.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 74.11 110.855 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.44 111.076 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 15' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 74.31 112.515 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 m -154.16 -46.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 63.42 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 4' ' ' GLY . 8.6 tp 177.78 132.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.942 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' N ' HD12 ' A' ' 3' ' ' LEU . . . 175.98 -121.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 63.24 112.502 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -151.46 -73.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 64.31 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 19.1 t70 -60.54 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 6' ' ' ASP . . . 177.82 167.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.667 ' H ' HD12 ' A' ' 15' ' ' LEU . 13.4 pt-20 -121.19 -9.38 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 110.874 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 145.35 -24.01 1.87 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 65.24 112.464 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.676 ' HB ' HD11 ' A' ' 15' ' ' LEU . 2.3 mm -89.45 166.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 73.34 111.155 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.462 ' H ' HG22 ' A' ' 10' ' ' ILE . 28.2 m -101.22 -16.03 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 52.23 111.108 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.618 HD12 HG21 ' A' ' 10' ' ' ILE . 8.7 mt -50.76 168.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.933 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 1.8 tp -70.66 -59.4 3.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.654 0.74 . . . . 73.32 110.943 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 13' ' ' LEU . 54.0 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.75 2.3 . . . . 61.43 112.355 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.676 HD11 ' HB ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -117.47 179.81 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.898 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.55 174.45 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.85 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -65.94 169.82 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.45 -58.62 6.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 62.13 110.907 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 54.1 Cg_endo -69.76 -16.19 37.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 72.15 112.356 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -102.88 152.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 73.31 111.122 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m 60.72 61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.55 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 23' ' ' PRO . 66.1 mt -103.73 133.11 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 73.33 111.084 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 22' ' ' ILE . 53.7 Cg_endo -69.8 -46.38 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 74.24 112.33 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.3 4.28 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 60.5 111.145 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 HD23 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER 61.59 160.93 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.693 . . . . 74.14 110.915 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.615 ' HD2' HD23 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.76 112.52 3.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 73.52 112.359 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' PRO . 52.9 Cg_endo -69.86 -175.44 1.18 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 62.32 112.305 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -111.43 -36.08 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.0 m -66.55 -41.57 88.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 54.42 111.104 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.1 22.56 37.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.747 . . . . 72.32 112.479 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.72 -25.33 6.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 75.03 112.501 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -108.83 90.24 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 74.11 110.827 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.111 179.935 . . . . . . . . 0 0 . 1 stop_ save_