data_2ys2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ys2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.917 0.389 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -112.67 110.18 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -79.49 44.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.08 -149.45 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.549 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -136.35 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 13.9 t80 -118.15 95.42 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.46 142.42 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 56.7 34.98 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 63.63 14.36 54.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.58 144.61 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.32 158.8 32.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.4 mm? -105.57 -21.72 13.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.3 p -80.12 -47.85 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.42 -28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 59.54 43.74 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -62.09 179.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -85.22 -48.6 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -93.99 165.85 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.45 42.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.79 159.61 83.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.68 138.31 37.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.379 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.47 138.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.7 p -97.52 -40.02 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.957 0.408 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -106.4 127.02 52.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 19.7 p -82.4 40.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.47 43.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.18 166.09 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -95.65 100.6 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -123.86 140.63 46.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.57 44.05 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.64 53.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -157.46 154.98 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.85 175.03 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.6 -11.02 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 17' ' ' SER . 7.5 p -90.51 -50.65 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.6 16.6 12.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 43.47 26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.74 135.48 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -80.86 -32.64 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.2 m -69.47 106.18 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -34.8 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.58 37.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.8 150.89 51.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.81 132.69 23.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -37.29 109.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.538 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 p -48.21 -34.56 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -95.46 113.56 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -81.93 41.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.9 -175.36 34.72 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -119.48 158.95 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 81.4 t80 -94.51 102.57 14.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 22' ' ' ASP . 46.5 t -132.28 137.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 21' ' ' VAL . 12.1 t0 73.85 39.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 59.72 33.01 75.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -170.8 170.99 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.99 173.55 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 38.2 mt -122.4 -25.6 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -76.13 -42.84 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 p -114.55 -21.94 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 35.4 mm-40 56.99 44.74 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -82.95 178.55 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -98.41 -53.08 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.2 m -58.79 136.4 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -70.76 -49.31 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.06 39.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 148.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.1 54.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 0.0 112.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 92.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 p -40.04 -46.42 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 39' ' ' THR . 23.8 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.379 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -107.28 132.18 53.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 p -92.18 36.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.52 176.17 39.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -103.13 -176.76 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 53.8 t80 -118.44 111.48 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 22' ' ' ASP . 60.9 t -133.87 150.12 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 21' ' ' VAL . 37.1 m-20 50.94 46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 53.21 36.07 51.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -166.61 149.56 6.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.91 173.55 11.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.5 -22.57 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -74.73 -54.74 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 29' ' ' GLN . 7.9 p -118.05 24.57 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' CYS . 20.1 mp0 35.12 41.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -90.69 128.32 36.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -93.92 54.6 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.23 106.38 4.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -42.5 -35.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.43 41.64 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 151.36 87.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.69 123.68 10.36 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.36 109.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 p -60.62 -33.61 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 15' ' ' TYR . 42.3 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 31.4 m-70 -118.84 120.94 38.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -83.04 43.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.65 -160.17 19.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -132.27 169.11 16.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 66.5 t80 -103.14 103.09 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.89 144.99 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.38 44.5 7.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.533 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 54.42 39.84 66.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -173.77 161.56 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -80.12 172.69 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.9 mt -123.69 -21.39 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -84.46 -35.58 22.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.19 -21.98 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 62.97 40.27 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.13 143.3 41.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.7 p -68.75 -52.98 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.53 153.49 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.544 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 17.5 ttmt -88.85 -58.3 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.58 42.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 152.16 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.489 0.661 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.78 129.15 17.09 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.24 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' CE1' ' A' ' 16' ' ' HIS . . . -35.59 127.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.526 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 p -62.59 -45.73 91.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -102.73 117.73 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -88.86 42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 -172.75 25.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -116.59 174.76 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 33' ' ' LYS . 44.7 t80 -113.6 106.37 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 22' ' ' ASP . 91.7 t -133.63 142.67 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' N ' HG11 ' A' ' 21' ' ' VAL . 4.9 t0 62.07 46.72 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.71 36.2 58.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -165.92 168.34 15.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -89.15 178.97 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 8.1 mp -118.94 -25.38 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 p -82.42 -42.24 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -116.3 -28.59 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 63.29 45.9 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.7 178.06 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -91.31 -54.42 3.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -74.9 164.56 26.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 26.0 mtpt -92.36 -47.0 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.62 40.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.41 155.49 83.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 111.074 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.3 Cg_endo -69.75 132.26 22.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.65 132.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -82.89 -34.79 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CE1' HG22 ' A' ' 39' ' ' THR . 3.3 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.54 115.37 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.4 p -80.8 45.02 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.19 -154.44 6.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -139.21 173.78 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 38.1 t80 -108.71 97.34 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -125.7 134.68 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.95 41.2 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.3 38.58 79.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -167.53 152.79 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -74.89 172.21 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 26' ' ' LEU . 9.6 mp -115.26 -27.56 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -72.5 -49.88 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.8 p -124.1 22.78 8.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.8 mp0 34.47 38.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -86.45 102.23 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 m -42.95 -38.04 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.44 141.94 57.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.84 -48.58 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.0 39.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.49 162.93 61.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.3 50.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.75 101.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 p -55.38 -22.05 18.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 15' ' ' TYR . 67.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -92.2 117.27 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 m -81.68 42.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.67 -165.98 23.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -118.36 155.81 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 33' ' ' LYS . 35.4 t80 -108.42 104.55 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.1 166.61 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 49.45 41.38 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 39.7 82.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -168.05 177.94 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -102.5 173.78 6.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 34.4 mt -124.36 -30.37 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.43 -39.39 74.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -122.23 -22.89 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 59.09 43.47 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.43 170.4 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 p -103.58 41.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -138.86 173.3 11.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 4.2 tppp? -103.95 -49.64 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.78 41.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' CB ' ' HD2' ' A' ' 36' ' ' PRO . . . -66.1 165.91 19.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 156.65 63.03 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' THR . . . -61.67 95.37 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 18.9 p -34.46 -35.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' GLY . 28.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.1 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.21 114.95 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -85.37 42.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.13 175.55 30.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.21 178.01 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -138.45 111.46 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.83 151.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.74 36.57 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.01 47.92 88.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -174.64 159.58 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -88.91 161.65 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -105.41 0.6 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -98.13 -45.55 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.29 21.07 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 5.7 mm100 40.41 38.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.43 155.74 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -116.76 45.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.34 154.48 33.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -83.95 -44.8 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.45 37.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 150.43 95.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.83 26.57 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.643 2.228 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.63 112.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.59 -18.45 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' THR . 2.7 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.908 0.385 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -91.91 117.64 29.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -85.01 46.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.68 44.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -87.67 176.71 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 47.3 t80 -133.96 104.89 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.32 164.23 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 48.5 43.43 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 52.87 43.0 60.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -167.17 150.3 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 62.0 m-85 -82.99 164.34 20.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 5.7 mp -113.49 -10.26 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -90.68 -37.55 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.82 -21.0 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 38.0 mm-40 58.94 40.06 22.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -77.81 175.55 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -112.14 53.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -156.89 155.34 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -83.68 -50.3 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.5 35.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.99 155.46 4.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.5 Cg_endo -69.66 138.31 37.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.33 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -36.75 131.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.45 -43.29 14.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 15' ' ' TYR . 12.2 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.884 0.373 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -99.36 124.24 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.41 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 8.5 t -83.42 42.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.31 -178.93 42.84 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.414 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.74 158.33 22.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -90.09 107.19 18.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.57 149.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 57.99 39.89 26.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 37.82 83.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -174.66 147.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.86 177.56 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.8 -28.83 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' HB3' ' C ' ' A' ' 17' ' ' SER . 2.1 p -69.78 -43.54 71.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLN . 4.5 p -125.99 22.13 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' CYS . 91.2 mm-40 35.9 38.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -86.66 117.33 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -88.62 43.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' LYS . 10.3 m -134.06 93.71 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' CYS . 59.4 tttm -35.38 -48.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.7 66.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.73 154.95 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 157.33 60.63 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.758 2.306 . . . . 0.0 112.332 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.41 126.2 40.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.1 p -83.82 -44.31 14.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.51 ' CZ ' HG23 ' A' ' 39' ' ' THR . 42.0 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -112.64 125.14 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -79.96 44.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.62 -179.41 41.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -111.1 159.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 58.0 t80 -98.04 103.3 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 22' ' ' ASP . 88.8 t -127.42 152.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 59.08 42.59 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.76 33.41 63.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -166.77 172.99 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -90.8 173.75 7.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 27.9 mt -124.02 -25.51 4.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -76.9 -39.81 49.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -119.24 -26.21 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 60.56 43.78 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -88.04 140.44 29.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 m -82.69 72.16 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.63 128.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -59.93 -41.0 90.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 32.92 4.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.47 153.51 0.58 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.78 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.8 112.65 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.433 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.5 p -69.82 -34.15 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 15' ' ' TYR . 63.3 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.882 0.373 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -90.38 125.37 35.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -82.29 41.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.21 -176.97 36.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.61 162.24 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -91.66 97.46 11.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 22' ' ' ASP . 60.4 t -120.74 144.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 21' ' ' VAL . 5.2 m-20 59.56 45.3 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . 53.41 37.59 55.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 15.6 mtmm -168.89 168.57 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -87.1 172.04 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.83 -15.37 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 p -83.65 -44.61 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.3 p -128.32 19.55 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' CYS . 21.5 mp0 34.92 45.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -96.7 127.38 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -69.19 -36.95 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.67 156.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -94.77 -42.46 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.13 27.78 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.64 152.61 0.52 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.2 Cg_endo -69.76 129.64 17.95 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.415 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.49 107.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.2 p -65.68 -36.93 85.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' HG22 ' A' ' 39' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -105.17 114.08 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.6 t -79.38 45.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.44 148.68 14.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -73.62 178.6 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 70.3 t80 -131.16 98.75 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.21 153.23 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 49.4 47.9 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 52.09 29.07 27.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.554 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -142.03 153.33 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -89.92 163.49 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 26' ' ' LEU . 8.4 mp -108.61 -16.05 14.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -89.12 -48.5 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLN . 16.7 p -131.34 15.66 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.1 mp0 34.41 37.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' CYS . 9.5 mt-30 -80.55 100.53 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -40.32 -39.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.9 m -64.82 122.22 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -67.37 -47.18 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.79 40.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.11 151.32 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 52.8 Cg_endo -69.91 128.26 15.64 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.44 105.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.82 -37.29 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 15' ' ' TYR . 15.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.453 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 46.5 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -120.52 128.66 53.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 p -85.13 36.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.17 -153.43 8.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -135.36 -177.57 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 44.2 t80 -118.75 100.47 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.79 138.87 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 70.2 39.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.549 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 58.49 38.58 91.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.462 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -173.5 155.7 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -80.66 164.82 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.36 -36.93 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.69 -55.13 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -103.4 -35.15 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.08 45.84 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -78.08 -179.98 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -85.55 -50.64 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -55.25 159.74 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 30.2 tttm -94.29 -37.44 11.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.42 148.1 9.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 15' ' ' TYR . . . -34.87 114.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.0 p -57.19 -41.12 78.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -108.46 112.02 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -81.99 40.52 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.95 170.09 40.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -98.23 174.16 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 49.6 t80 -111.76 101.4 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 22' ' ' ASP . 90.0 t -129.61 148.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.072 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' N ' HG11 ' A' ' 21' ' ' VAL . 8.7 t0 62.69 41.71 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.94 38.55 60.45 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -173.98 147.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.418 ' C ' HD21 ' A' ' 26' ' ' LEU . 66.5 m-85 -70.63 165.59 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD21 ' N ' ' A' ' 26' ' ' LEU . 3.8 mm? -107.6 -34.05 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -67.42 -47.86 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.5 p -111.87 -37.83 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 67.22 45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.5 176.66 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -110.3 45.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.12 128.89 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.549 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 26.8 mmtt -68.25 -48.57 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.76 38.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.42 149.25 86.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.656 0.741 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 171.47 14.42 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.92 105.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 8.2 p -49.1 -36.4 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -109.22 123.88 49.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -85.17 32.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.86 156.25 28.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -75.78 -177.69 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 37.5 t80 -129.06 101.25 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.31 174.64 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 45.06 43.72 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.35 40.52 61.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -171.61 172.55 4.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 25.5 m-85 -93.35 170.67 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.26 -19.37 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.99 -40.52 10.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 p -118.36 -20.59 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 54.93 47.64 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -85.37 122.68 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -46.64 -45.96 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -66.87 159.38 28.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -102.56 -52.16 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.6 37.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.06 161.83 64.2 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.594 0.712 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.46 66.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.293 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.79 127.11 37.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.41 -45.45 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -129.02 116.55 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -83.5 42.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.91 171.51 37.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.43 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -96.13 167.05 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 HG11 ' N ' ' A' ' 22' ' ' ASP . 43.7 t -134.12 143.53 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.452 ' N ' HG11 ' A' ' 21' ' ' VAL . 1.2 m-20 61.4 41.84 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.59 41.74 82.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -172.32 141.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.402 ' C ' HD23 ' A' ' 26' ' ' LEU . 58.6 m-85 -65.14 162.9 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 26' ' ' LEU . 3.4 mm? -105.0 -6.55 19.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.75 -51.7 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -101.25 -16.6 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 55.04 50.78 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -95.38 167.35 11.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 m -101.95 41.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 m -148.69 137.59 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -80.96 -43.93 18.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.8 40.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 148.13 81.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.01 55.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.393 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.07 113.14 1.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 20.0 p -76.01 -32.13 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.546 ' HB ' ' CE1' ' A' ' 15' ' ' TYR . 2.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.23 112.93 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -80.58 43.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.38 -149.06 5.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -143.51 175.37 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.405 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 50.6 t80 -109.6 102.33 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 22' ' ' ASP . 96.5 t -128.25 143.62 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' N ' HG11 ' A' ' 21' ' ' VAL . 3.7 t70 62.71 40.15 10.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 59.15 35.95 86.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -168.02 168.72 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -86.99 173.88 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -122.86 -16.88 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 p -83.71 -44.39 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLN . 14.2 p -129.65 23.48 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' CYS . 17.1 mp0 37.08 36.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -86.12 136.71 33.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -105.47 46.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.78 111.33 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -56.64 -34.89 67.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.23 49.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.995 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.45 150.92 37.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 132.93 24.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.4 115.34 0.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 p -61.29 -39.42 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.1 p90 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -100.4 120.53 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -83.3 41.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.43 -169.3 28.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -119.67 167.32 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.401 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 33' ' ' LYS . 56.4 t80 -115.81 90.01 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -120.22 145.69 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 67.27 28.23 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.65 34.3 83.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -160.56 154.63 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.407 ' C ' HD21 ' A' ' 26' ' ' LEU . 10.5 m-85 -89.46 157.6 18.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 ' N ' ' A' ' 26' ' ' LEU . 3.8 mm? -107.1 -0.27 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.96 -50.9 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.78 17.09 14.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 39.73 30.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.16 124.85 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -60.14 -38.03 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 1.9 t -62.52 130.83 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . 20.3 ptmt -70.43 -41.13 73.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.57 36.88 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 32' ' ' CYS . . . -61.22 165.48 6.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.67 131.27 21.0 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.49 122.75 2.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.416 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -75.22 -36.57 61.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -126.0 89.7 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.809 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -54.6 -46.29 73.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 141.78 7.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -105.5 42.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -92.62 168.61 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.59 -50.48 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -151.36 150.1 26.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.55 36.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 15.0 p-80 -103.85 115.03 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.1 -30.38 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.67 80.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -118.16 144.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -119.4 172.9 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -140.79 176.44 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -112.67 110.18 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -79.49 44.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.08 -149.45 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.549 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -136.35 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 13.9 t80 -118.15 95.42 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.46 142.42 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 56.7 34.98 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 63.63 14.36 54.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.58 144.61 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.32 158.8 32.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.4 mm? -105.57 -21.72 13.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.3 p -80.12 -47.85 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.42 -28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 59.54 43.74 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -62.09 179.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -85.22 -48.6 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -93.99 165.85 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.45 42.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.79 159.61 83.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.68 138.31 37.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.379 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.47 138.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.7 p -97.52 -40.02 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 m -69.27 89.2 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 41' ' ' TRP . 3.3 tt -99.92 154.23 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.455 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.8 t90 -68.7 83.77 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -148.75 163.21 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.0 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 45' ' ' SER . 24.4 p90 -70.57 -49.56 46.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.438 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 4.4 m -88.34 138.43 31.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.51 161.18 19.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.3 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 m -39.15 147.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.7 p -95.12 130.97 41.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -74.59 124.51 26.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 p -120.62 151.51 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.25 102.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 p -121.94 156.21 33.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.96 0.41 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -46.51 147.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.35 -150.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -66.63 150.77 97.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.9 29.19 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.747 2.298 . . . . 0.0 112.34 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -83.99 38.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -75.59 -47.08 28.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -56.41 -64.55 0.83 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -39.71 127.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -65.01 177.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -173.15 167.35 4.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -106.4 127.02 52.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 19.7 p -82.4 40.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.47 43.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.18 166.09 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -95.65 100.6 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -123.86 140.63 46.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.57 44.05 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.64 53.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -157.46 154.98 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.85 175.03 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.6 -11.02 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 17' ' ' SER . 7.5 p -90.51 -50.65 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.6 16.6 12.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 43.47 26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.74 135.48 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -80.86 -32.64 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.2 m -69.47 106.18 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -34.8 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.58 37.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.8 150.89 51.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.81 132.69 23.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -37.29 109.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.538 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 p -48.21 -34.56 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p -71.9 113.26 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.67 125.1 35.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -58.68 125.98 25.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -135.28 131.1 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.98 -49.31 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.2 t80 54.39 42.2 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.8 p -90.38 -43.98 9.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.37 176.06 21.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.05 49.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -123.69 -53.69 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.7 m 50.06 42.11 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.466 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -129.99 169.43 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m 50.96 42.13 27.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.69 -146.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -162.99 126.2 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.937 0.399 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -70.56 121.79 18.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.35 -133.31 6.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.45 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 4.0 t-20 -174.96 143.99 0.81 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.693 . . . . 0.0 110.958 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 53.7 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 3.1 m-70 -51.89 157.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -97.75 -29.5 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -100.42 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 10' ' ' HIS . 11.4 p -124.91 128.26 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -44.13 142.77 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -148.5 171.2 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -95.46 113.56 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -81.93 41.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.9 -175.36 34.72 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -119.48 158.95 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 81.4 t80 -94.51 102.57 14.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 22' ' ' ASP . 46.5 t -132.28 137.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 21' ' ' VAL . 12.1 t0 73.85 39.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 59.72 33.01 75.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -170.8 170.99 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.99 173.55 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 38.2 mt -122.4 -25.6 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -76.13 -42.84 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 p -114.55 -21.94 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 35.4 mm-40 56.99 44.74 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -82.95 178.55 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -98.41 -53.08 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.2 m -58.79 136.4 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -70.76 -49.31 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.06 39.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 148.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.1 54.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 0.0 112.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 92.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 p -40.04 -46.42 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -72.72 81.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.56 179.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -97.46 33.3 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.96 165.56 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.27 44.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -69.54 99.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 p -118.27 -50.85 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.73 164.65 16.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -50.68 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -134.51 57.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 p -103.85 -50.95 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -160.67 172.75 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -84.04 121.18 27.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.71 42.55 1.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -162.52 124.84 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -101.09 139.11 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.53 104.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.68 159.5 1.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -14.54 35.94 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.618 2.212 . . . . 0.0 112.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -69.64 138.18 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.41 -39.02 13.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -111.2 43.24 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -48.18 135.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 40' ' ' LEU . 58.9 mmtt -113.83 176.67 4.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 39' ' ' THR . 23.8 p90 -137.58 162.85 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -107.28 132.18 53.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 p -92.18 36.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.52 176.17 39.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -103.13 -176.76 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 53.8 t80 -118.44 111.48 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 22' ' ' ASP . 60.9 t -133.87 150.12 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 21' ' ' VAL . 37.1 m-20 50.94 46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 53.21 36.07 51.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -166.61 149.56 6.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.91 173.55 11.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.5 -22.57 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -74.73 -54.74 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 29' ' ' GLN . 7.9 p -118.05 24.57 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' CYS . 20.1 mp0 35.12 41.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -90.69 128.32 36.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -93.92 54.6 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.23 106.38 4.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -42.5 -35.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.43 41.64 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 151.36 87.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.69 123.68 10.36 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.36 109.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 p -60.62 -33.61 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 15' ' ' TYR . 42.3 p -50.04 -32.2 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' THR . 3.3 pp -36.33 149.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -96.52 166.6 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.26 129.72 20.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.95 141.95 28.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.169 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -93.5 146.21 23.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -112.58 105.2 13.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.89 155.2 6.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 143.58 51.7 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -99.39 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.4 m -61.67 -50.85 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.057 -0.857 . . . . 0.0 112.461 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -122.12 173.24 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -43.38 118.18 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.64 131.58 10.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -114.86 101.08 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -71.85 -54.63 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.36 -117.77 5.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -73.06 144.06 84.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.36 35.37 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.767 2.312 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -74.28 116.68 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.05 -45.07 2.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -97.08 95.85 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -155.53 126.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -44.68 144.94 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -118.67 173.62 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 31.4 m-70 -118.84 120.94 38.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -83.04 43.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.65 -160.17 19.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -132.27 169.11 16.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 66.5 t80 -103.14 103.09 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.89 144.99 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.38 44.5 7.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.533 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 54.42 39.84 66.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -173.77 161.56 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -80.12 172.69 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.9 mt -123.69 -21.39 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -84.46 -35.58 22.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.19 -21.98 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 62.97 40.27 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.13 143.3 41.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.7 p -68.75 -52.98 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.53 153.49 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.544 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 17.5 ttmt -88.85 -58.3 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.58 42.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 152.16 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.489 0.661 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.78 129.15 17.09 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.24 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA2' ' CE1' ' A' ' 16' ' ' HIS . . . -35.59 127.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.526 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 p -62.59 -45.73 91.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.5 p -71.6 121.11 18.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' TRP . 6.9 tt -111.13 152.64 26.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -36.42 -70.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' TRP . 73.8 mm-40 -35.52 130.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.71 -178.21 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -150.91 167.51 27.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -59.2 -55.14 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.83 83.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 123.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -40.19 132.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -109.89 157.76 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -93.64 109.66 21.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 p -137.9 145.95 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.88 80.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -128.31 148.34 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -156.77 144.37 19.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.71 91.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -109.74 80.17 1.59 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 53.8 Cg_endo -69.69 1.22 4.59 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.384 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' PRO . 42.8 p-80 45.0 41.93 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.38 -28.06 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.4 tp -107.24 -57.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . 89.9 t -34.06 127.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -63.15 126.54 27.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.26 168.73 9.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -102.73 117.73 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -88.86 42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 -172.75 25.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -116.59 174.76 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 33' ' ' LYS . 44.7 t80 -113.6 106.37 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 22' ' ' ASP . 91.7 t -133.63 142.67 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' N ' HG11 ' A' ' 21' ' ' VAL . 4.9 t0 62.07 46.72 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.71 36.2 58.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -165.92 168.34 15.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -89.15 178.97 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 8.1 mp -118.94 -25.38 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 p -82.42 -42.24 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -116.3 -28.59 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 63.29 45.9 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.7 178.06 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -91.31 -54.42 3.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -74.9 164.56 26.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 26.0 mtpt -92.36 -47.0 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.62 40.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.41 155.49 83.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 111.074 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.3 Cg_endo -69.75 132.26 22.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.65 132.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -82.89 -34.79 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.0 m -69.29 118.81 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -130.25 -4.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -82.57 39.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.98 151.59 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.2 120.1 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -108.54 39.01 2.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -99.19 -56.64 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.93 146.35 14.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -1.45 8.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m -83.17 101.69 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.3 m -122.77 175.45 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.449 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -113.37 96.26 5.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -79.8 99.88 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.38 -139.24 10.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -75.74 163.15 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -118.68 42.41 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.26 -159.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.492 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -92.14 144.02 28.46 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 86.63 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -93.35 93.47 8.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -90.36 -39.64 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -106.85 95.24 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.62 147.99 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -84.04 90.6 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CE1' HG22 ' A' ' 39' ' ' THR . 3.3 p90 -109.64 179.24 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.54 115.37 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.4 p -80.8 45.02 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.19 -154.44 6.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -139.21 173.78 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 38.1 t80 -108.71 97.34 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -125.7 134.68 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.95 41.2 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.3 38.58 79.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -167.53 152.79 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -74.89 172.21 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 26' ' ' LEU . 9.6 mp -115.26 -27.56 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -72.5 -49.88 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.8 p -124.1 22.78 8.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.8 mp0 34.47 38.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -86.45 102.23 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 m -42.95 -38.04 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.44 141.94 57.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.84 -48.58 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.0 39.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.49 162.93 61.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 143.3 50.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.75 101.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 p -55.38 -22.05 18.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 15' ' ' TYR . 67.5 p -61.74 -27.36 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' THR . 1.4 pt? -35.01 144.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.499 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 1.3 p90 -44.78 144.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 43' ' ' ALA . 39.6 mt-10 -139.33 164.15 30.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -35.36 101.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.82 -64.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -172.17 179.22 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.37 163.39 31.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 84.93 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -125.25 158.03 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.1 t -108.31 106.37 16.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.492 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 p -142.16 158.82 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -169.01 176.52 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.08 147.66 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -147.12 173.1 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -57.81 -61.96 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -178.38 15.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.551 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -114.35 76.54 3.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.517 0.675 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 1.68 4.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.626 2.217 . . . . 0.0 112.404 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -62.21 90.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -44.17 -43.49 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -122.79 132.96 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -149.57 150.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' CE ' HD13 ' A' ' 40' ' ' LEU . 15.9 pttm -101.3 171.19 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.49 176.84 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -92.2 117.27 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 m -81.68 42.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.67 -165.98 23.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -118.36 155.81 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 33' ' ' LYS . 35.4 t80 -108.42 104.55 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.1 166.61 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 49.45 41.38 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 39.7 82.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -168.05 177.94 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -102.5 173.78 6.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 34.4 mt -124.36 -30.37 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.43 -39.39 74.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -122.23 -22.89 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 59.09 43.47 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.43 170.4 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 p -103.58 41.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.3 t -138.86 173.3 11.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 4.2 tppp? -103.95 -49.64 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.78 41.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' CB ' ' HD2' ' A' ' 36' ' ' PRO . . . -66.1 165.91 19.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 156.65 63.03 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' THR . . . -61.67 95.37 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 18.9 p -34.46 -35.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' GLY . 28.0 m -73.33 73.25 1.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD13 ' CE ' ' A' ' 14' ' ' LYS . 15.7 tp -102.16 154.58 18.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.436 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 m95 -94.78 47.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -71.05 141.98 50.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.18 44.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.2 t80 66.66 42.94 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -113.9 41.93 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.803 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.57 155.68 26.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -174.94 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -97.65 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.1 p -159.99 173.86 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.453 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -119.28 -47.43 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m 57.24 42.45 25.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.59 177.54 46.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -160.98 163.19 31.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -43.43 145.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.65 85.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.07 151.82 38.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.712 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.33 47.5 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -71.66 91.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.7 tp -85.02 -48.73 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.53 93.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.51 142.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.96 167.65 10.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -136.89 164.44 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.21 114.95 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -85.37 42.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.13 175.55 30.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -90.21 178.01 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -138.45 111.46 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.83 151.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.74 36.57 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.01 47.92 88.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -174.64 159.58 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -88.91 161.65 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -105.41 0.6 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -98.13 -45.55 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.29 21.07 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 5.7 mm100 40.41 38.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.43 155.74 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -116.76 45.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.34 154.48 33.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -83.95 -44.8 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.45 37.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 150.43 95.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.83 26.57 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.643 2.228 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.63 112.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.59 -18.45 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -70.34 111.31 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -134.73 129.08 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.0 m95 46.65 50.67 12.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.73 139.19 48.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.42 148.41 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -121.72 108.57 13.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -147.39 109.48 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.32 83.39 0.14 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.5 7.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.753 2.302 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -148.17 159.75 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 p -173.33 171.75 3.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.481 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -141.45 169.65 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -42.96 112.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 -91.77 1.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -62.5 145.17 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 m -147.78 144.35 28.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.46 68.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 12.4 p-10 -134.94 80.61 48.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -131.65 166.93 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 tp -167.19 141.57 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.41 46.68 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.51 144.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -43.78 129.88 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' THR . 2.7 p90 -129.79 176.55 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -91.91 117.64 29.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -85.01 46.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.68 44.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -87.67 176.71 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 47.3 t80 -133.96 104.89 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.32 164.23 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 48.5 43.43 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 52.87 43.0 60.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -167.17 150.3 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 62.0 m-85 -82.99 164.34 20.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 5.7 mp -113.49 -10.26 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -90.68 -37.55 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.82 -21.0 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 38.0 mm-40 58.94 40.06 22.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -77.81 175.55 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -112.14 53.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 t -156.89 155.34 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -83.68 -50.3 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.5 35.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.99 155.46 4.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.5 Cg_endo -69.66 138.31 37.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.33 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -36.75 131.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.45 -43.29 14.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 15' ' ' TYR . 12.2 t -55.26 134.04 49.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' TRP . 0.4 OUTLIER -108.48 136.34 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -34.36 117.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -149.48 174.37 12.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.98 -61.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -172.62 176.2 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.7 p 43.74 42.62 4.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 -81.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.58 37.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -88.63 166.73 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -91.78 100.35 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.507 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -92.81 160.61 14.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -98.92 -60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.93 -149.36 37.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -79.82 165.55 22.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -112.88 133.79 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.1 -76.02 1.15 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 10.7 t30 66.42 54.48 0.89 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 8' ' ' ASN . 53.8 Cg_endo -69.79 1.6 4.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.83 131.45 47.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.14 -53.67 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.34 113.85 27.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 14' ' ' LYS . 14.0 p -129.35 143.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -56.57 168.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -136.53 172.21 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -99.36 124.24 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 8.5 t -83.42 42.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.31 -178.93 42.84 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.414 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.74 158.33 22.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -90.09 107.19 18.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.57 149.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 57.99 39.89 26.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 37.82 83.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -174.66 147.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.86 177.56 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.8 -28.83 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' HB3' ' C ' ' A' ' 17' ' ' SER . 2.1 p -69.78 -43.54 71.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLN . 4.5 p -125.99 22.13 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' CYS . 91.2 mm-40 35.9 38.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -86.66 117.33 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -88.62 43.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' LYS . 10.3 m -134.06 93.71 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' CYS . 59.4 tttm -35.38 -48.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.7 66.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.73 154.95 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 157.33 60.63 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.758 2.306 . . . . 0.0 112.332 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.41 126.2 40.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.1 p -83.82 -44.31 14.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.2 m -67.24 84.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp -123.47 -4.97 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.47 80.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -117.72 41.86 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 42.28 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.61 -46.28 8.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.7 p -103.41 90.26 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.2 77.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.427 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.95 7.42 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.679 2.252 . . . . 0.0 112.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 m -126.58 106.93 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -166.39 105.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.446 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -111.73 -60.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.817 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -130.29 154.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.14 -49.92 0.26 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -65.27 -50.27 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -57.24 165.01 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.27 127.26 3.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -145.75 152.54 48.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.694 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -177.53 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.788 2.325 . . . . 0.0 112.353 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -59.71 94.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.48 -60.93 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -109.49 82.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.2 m -54.73 135.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -54.06 161.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.51 ' CZ ' HG23 ' A' ' 39' ' ' THR . 42.0 p90 -145.77 172.91 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -112.64 125.14 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -79.96 44.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.62 -179.41 41.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -111.1 159.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 58.0 t80 -98.04 103.3 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 22' ' ' ASP . 88.8 t -127.42 152.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 59.08 42.59 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.76 33.41 63.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -166.77 172.99 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -90.8 173.75 7.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 27.9 mt -124.02 -25.51 4.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -76.9 -39.81 49.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -119.24 -26.21 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 60.56 43.78 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -88.04 140.44 29.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 m -82.69 72.16 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.63 128.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -59.93 -41.0 90.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 32.92 4.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.47 153.51 0.58 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.78 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.8 112.65 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.433 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.5 p -69.82 -34.15 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 15' ' ' TYR . 63.3 m -49.35 -32.56 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' THR . 1.9 tt -34.84 130.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -38.16 -64.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.52 127.67 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.2 84.85 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 2.3 p90 -42.56 117.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 t -88.05 174.02 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.11 67.68 1.57 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 163.97 36.35 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.749 2.299 . . . . 0.0 112.293 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -143.32 140.87 30.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.2 p -58.4 90.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.49 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -133.56 171.24 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -135.15 166.8 22.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.99 95.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -113.06 115.05 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -123.84 127.65 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.77 -88.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -124.92 145.2 49.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.56 28.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.0 154.2 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.3 tp -87.95 -50.99 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 12' ' ' LEU . 2.4 tt -67.42 71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -132.61 45.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -65.19 179.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -140.93 158.7 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -90.38 125.37 35.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -82.29 41.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.21 -176.97 36.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.61 162.24 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -91.66 97.46 11.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 22' ' ' ASP . 60.4 t -120.74 144.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 21' ' ' VAL . 5.2 m-20 59.56 45.3 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . 53.41 37.59 55.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 15.6 mtmm -168.89 168.57 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -87.1 172.04 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.83 -15.37 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 p -83.65 -44.61 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.3 p -128.32 19.55 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' CYS . 21.5 mp0 34.92 45.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -96.7 127.38 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -69.19 -36.95 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.67 156.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -94.77 -42.46 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.13 27.78 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.64 152.61 0.52 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.2 Cg_endo -69.76 129.64 17.95 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.415 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.49 107.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.2 p -65.68 -36.93 85.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 118.11 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -111.81 162.88 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -91.68 100.92 13.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -150.99 126.22 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.94 -60.7 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.24 116.26 10.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 m -119.49 -47.34 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.94 67.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -47.9 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -93.88 106.81 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.5 t -77.36 89.04 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.468 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m -70.91 -52.67 18.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.762 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -81.9 149.22 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.68 120.38 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -120.34 151.08 39.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.794 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -116.83 124.41 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.74 73.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -153.86 150.32 22.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -3.17 11.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -132.79 131.94 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 12' ' ' LEU . 2.2 pt? -116.22 -43.36 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 14.0 tp -134.0 103.98 6.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -142.23 107.67 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -129.5 168.49 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' HG22 ' A' ' 39' ' ' THR . 0.4 OUTLIER -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -105.17 114.08 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.6 t -79.38 45.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.44 148.68 14.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -73.62 178.6 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 70.3 t80 -131.16 98.75 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.21 153.23 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 49.4 47.9 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 52.09 29.07 27.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.554 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -142.03 153.33 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -89.92 163.49 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 26' ' ' LEU . 8.4 mp -108.61 -16.05 14.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -89.12 -48.5 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLN . 16.7 p -131.34 15.66 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.1 mp0 34.41 37.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' CYS . 9.5 mt-30 -80.55 100.53 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -40.32 -39.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.9 m -64.82 122.22 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -67.37 -47.18 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.79 40.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.11 151.32 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 52.8 Cg_endo -69.91 128.26 15.64 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.44 105.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.82 -37.29 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 15' ' ' TYR . 15.2 t -72.54 164.73 25.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 41' ' ' TRP . 2.4 tt -163.28 131.15 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.402 ' N ' HD21 ' A' ' 40' ' ' LEU . 2.6 t90 -46.02 -59.45 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -88.69 111.95 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -124.38 143.8 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -84.35 42.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -53.83 108.75 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.46 -91.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.43 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 85.93 0.6 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.77 2.313 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.5 p -111.65 156.23 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' GLY . 18.9 m -83.48 162.09 21.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -152.66 171.48 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -120.27 104.7 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.52 124.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -87.65 42.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m 39.01 42.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.1 -142.74 14.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.18 151.97 35.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -30.97 21.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.728 2.286 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.27 174.73 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 tp -165.49 138.24 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.98 43.04 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -128.86 45.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' CD ' ' HB2' ' A' ' 40' ' ' LEU . 25.8 mtmm -116.49 174.91 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.453 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 46.5 p90 -128.47 177.71 6.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -120.52 128.66 53.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 p -85.13 36.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.17 -153.43 8.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -135.36 -177.57 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 44.2 t80 -118.75 100.47 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.79 138.87 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 70.2 39.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.549 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 58.49 38.58 91.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.462 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -173.5 155.7 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -80.66 164.82 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.36 -36.93 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.69 -55.13 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -103.4 -35.15 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.08 45.84 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -78.08 -179.98 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -85.55 -50.64 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.0 t -55.25 159.74 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 30.2 tttm -94.29 -37.44 11.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.42 148.1 9.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 15' ' ' TYR . . . -34.87 114.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.0 p -57.19 -41.12 78.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.7 p -59.96 101.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HB2' ' CD ' ' A' ' 14' ' ' LYS . 12.9 tp -133.64 145.46 49.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' GLU . 4.9 m0 -47.99 -56.8 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' TRP . 4.9 mm-40 -34.65 114.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.96 168.53 26.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -88.84 163.21 15.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.5 p -97.59 95.2 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.9 -158.15 34.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -70.87 -51.66 24.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -67.13 119.9 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.472 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -119.33 156.3 30.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.92 -41.05 0.32 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -46.05 119.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -125.66 152.81 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 167.28 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -115.11 81.15 7.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.1 41.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.38 -55.82 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -118.31 106.22 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -156.23 160.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 40' ' ' LEU . 12.1 mtmt -52.14 120.83 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.09 175.9 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -108.46 112.02 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -81.99 40.52 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.95 170.09 40.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -98.23 174.16 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 49.6 t80 -111.76 101.4 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 22' ' ' ASP . 90.0 t -129.61 148.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.072 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' N ' HG11 ' A' ' 21' ' ' VAL . 8.7 t0 62.69 41.71 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.94 38.55 60.45 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -173.98 147.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.418 ' C ' HD21 ' A' ' 26' ' ' LEU . 66.5 m-85 -70.63 165.59 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD21 ' N ' ' A' ' 26' ' ' LEU . 3.8 mm? -107.6 -34.05 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -67.42 -47.86 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.5 p -111.87 -37.83 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 67.22 45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.5 176.66 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -110.3 45.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.12 128.89 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 26.8 mmtt -68.25 -48.57 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.76 38.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.42 149.25 86.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.656 0.741 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 171.47 14.42 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.92 105.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 8.2 p -49.1 -36.4 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -97.81 154.0 17.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 2.0 pt? -156.78 174.71 15.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.444 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 1.4 p90 -42.23 143.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -139.95 116.15 10.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.78 -54.48 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -124.99 124.72 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -90.91 135.97 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.41 143.67 8.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -93.63 145.23 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -152.65 117.26 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.512 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 p -62.79 155.07 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.82 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -55.02 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.6 124.08 0.69 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -75.17 103.28 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -93.25 91.41 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.98 -139.18 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -112.32 80.51 3.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.927 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -76.32 145.66 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.89 133.22 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt 62.02 49.19 4.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 m -104.01 145.42 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -76.13 156.37 33.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -147.88 177.16 9.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -109.22 123.88 49.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -85.17 32.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.86 156.25 28.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -75.78 -177.69 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 37.5 t80 -129.06 101.25 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.31 174.64 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 45.06 43.72 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.35 40.52 61.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -171.61 172.55 4.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 25.5 m-85 -93.35 170.67 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.26 -19.37 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.99 -40.52 10.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 p -118.36 -20.59 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 54.93 47.64 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -85.37 122.68 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -46.64 -45.96 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -66.87 159.38 28.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -102.56 -52.16 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.6 37.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.06 161.83 64.2 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.594 0.712 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 149.46 66.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.293 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.79 127.11 37.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.41 -45.45 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.3 m -58.35 94.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -163.48 155.04 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -115.39 158.75 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -134.12 174.23 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.98 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -104.13 130.09 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.3 m -102.13 42.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.85 79.64 1.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.459 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.06 2.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.6 t -87.9 158.41 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -45.83 123.24 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.462 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -166.38 117.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -129.45 99.71 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -116.42 153.88 31.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 m -93.93 -55.13 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.62 120.2 4.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -77.03 144.84 72.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.02 24.55 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -73.08 131.73 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.46 138.68 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 mt 48.31 43.59 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.77 137.54 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HB3' ' CH2' ' A' ' 41' ' ' TRP . 7.6 mtmt -130.94 -73.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -174.85 175.53 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -129.02 116.55 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -83.5 42.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.91 171.51 37.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.43 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -96.13 167.05 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 HG11 ' N ' ' A' ' 22' ' ' ASP . 43.7 t -134.12 143.53 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.452 ' N ' HG11 ' A' ' 21' ' ' VAL . 1.2 m-20 61.4 41.84 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.59 41.74 82.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -172.32 141.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' C ' HD23 ' A' ' 26' ' ' LEU . 58.6 m-85 -65.14 162.9 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 26' ' ' LEU . 3.4 mm? -105.0 -6.55 19.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.75 -51.7 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -101.25 -16.6 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 55.04 50.78 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -95.38 167.35 11.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 m -101.95 41.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 m -148.69 137.59 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -80.96 -43.93 18.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.8 40.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 148.13 81.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.01 55.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.393 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . . . -50.07 113.14 1.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 20.0 p -76.01 -32.13 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.546 ' HB ' ' CE1' ' A' ' 15' ' ' TYR . 2.5 m -95.65 143.05 27.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -99.56 156.81 16.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 14' ' ' LYS . 18.3 m95 -46.89 -48.27 21.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 42' ' ' GLU . 1.7 pp20? -80.91 42.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.72 124.87 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -83.49 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -46.63 100.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.82 -158.64 8.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' SER . 53.3 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' PRO . 95.1 p -34.87 130.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.1 p -111.06 -45.84 3.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t 39.88 41.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -59.05 -54.37 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.9 157.44 33.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -60.53 -44.61 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 p -76.33 103.88 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.32 -120.82 3.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -101.89 144.01 27.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.2 m170 43.97 44.86 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.68 -48.19 6.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.73 45.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' LYS . 65.4 t -133.47 130.75 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' VAL . 9.8 mtmp? -34.55 119.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.96 -179.95 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.23 112.93 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -80.58 43.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.38 -149.06 5.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -143.51 175.37 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.405 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 50.6 t80 -109.6 102.33 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 22' ' ' ASP . 96.5 t -128.25 143.62 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' N ' HG11 ' A' ' 21' ' ' VAL . 3.7 t70 62.71 40.15 10.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 59.15 35.95 86.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -168.02 168.72 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -86.99 173.88 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -122.86 -16.88 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 p -83.71 -44.39 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLN . 14.2 p -129.65 23.48 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' CYS . 17.1 mp0 37.08 36.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -86.12 136.71 33.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -105.47 46.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.78 111.33 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -56.64 -34.89 67.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.23 49.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.995 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.45 150.92 37.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 132.93 24.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.4 115.34 0.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 p -61.29 -39.42 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -72.03 91.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.558 ' C ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -118.23 -13.9 9.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.53 46.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -84.95 35.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.78 47.43 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 6.2 t80 -85.41 85.89 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 m -67.26 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.91 149.13 5.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' SER . 52.8 Cg_endo -69.83 -1.67 8.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' PRO . 16.4 m -34.7 123.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.3 m -46.03 157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.407 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -56.05 -60.05 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -132.2 142.84 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.73 -133.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -170.33 136.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -50.05 111.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.54 -56.53 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.82 141.07 67.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 168.81 20.56 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.763 2.309 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -43.2 131.7 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.49 139.5 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp 46.26 44.52 12.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -87.02 134.12 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -54.31 120.07 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -127.48 171.32 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -100.4 120.53 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -83.3 41.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.43 -169.3 28.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -119.67 167.32 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.401 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 33' ' ' LYS . 56.4 t80 -115.81 90.01 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -120.22 145.69 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 67.27 28.23 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.65 34.3 83.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -160.56 154.63 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.407 ' C ' HD21 ' A' ' 26' ' ' LEU . 10.5 m-85 -89.46 157.6 18.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 ' N ' ' A' ' 26' ' ' LEU . 3.8 mm? -107.1 -0.27 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.96 -50.9 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.78 17.09 14.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 39.73 30.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.16 124.85 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -60.14 -38.03 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 1.9 t -62.52 130.83 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . 20.3 ptmt -70.43 -41.13 73.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.57 36.88 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 32' ' ' CYS . . . -61.22 165.48 6.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.67 131.27 21.0 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.49 122.75 2.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.416 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -75.22 -36.57 61.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.457 ' CG2' ' HG2' ' A' ' 42' ' ' GLU . 7.2 m -71.71 90.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 41' ' ' TRP . 3.2 pp -132.78 159.82 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 40' ' ' LEU . 90.1 m95 33.32 52.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG2' ' CG2' ' A' ' 39' ' ' THR . 1.2 pp20? -113.99 38.28 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.93 -48.39 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -48.42 119.63 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.1 p -72.98 179.49 3.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 146.88 48.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -32.98 17.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 p -122.92 164.37 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t 51.0 41.7 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.502 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.917 0.389 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -112.67 110.18 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -79.49 44.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.08 -149.45 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.549 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -136.35 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 13.9 t80 -118.15 95.42 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.46 142.42 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 56.7 34.98 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 63.63 14.36 54.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.58 144.61 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.32 158.8 32.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.4 mm? -105.57 -21.72 13.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.3 p -80.12 -47.85 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.42 -28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 59.54 43.74 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -62.09 179.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -85.22 -48.6 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -93.99 165.85 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.45 42.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -73.79 159.61 83.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.68 138.31 37.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.379 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.47 138.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.7 p -97.52 -40.02 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.957 0.408 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -106.4 127.02 52.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 19.7 p -82.4 40.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.47 43.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.18 166.09 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -95.65 100.6 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -123.86 140.63 46.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.57 44.05 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.64 53.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -157.46 154.98 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.85 175.03 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.6 -11.02 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 17' ' ' SER . 7.5 p -90.51 -50.65 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.6 16.6 12.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 43.47 26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.74 135.48 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -80.86 -32.64 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.2 m -69.47 106.18 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -34.8 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.58 37.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.8 150.89 51.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.81 132.69 23.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -37.29 109.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.538 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 p -48.21 -34.56 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -95.46 113.56 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -81.93 41.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.9 -175.36 34.72 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -119.48 158.95 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 81.4 t80 -94.51 102.57 14.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -132.28 137.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 73.85 39.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 59.72 33.01 75.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -170.8 170.99 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.99 173.55 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 38.2 mt -122.4 -25.6 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -76.13 -42.84 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 p -114.55 -21.94 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 35.4 mm-40 56.99 44.74 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -82.95 178.55 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -98.41 -53.08 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.2 m -58.79 136.4 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -70.76 -49.31 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.06 39.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 148.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.1 54.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 0.0 112.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 92.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 p -40.04 -46.42 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' A' ' 39' ' ' THR . 23.8 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.379 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -107.28 132.18 53.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 p -92.18 36.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.52 176.17 39.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -103.13 -176.76 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 53.8 t80 -118.44 111.48 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 22' ' ' ASP . 60.9 t -133.87 150.12 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CG ' HG12 ' A' ' 21' ' ' VAL . 37.1 m-20 50.94 46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 53.21 36.07 51.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -166.61 149.56 6.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.91 173.55 11.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.5 -22.57 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -74.73 -54.74 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 29' ' ' GLN . 7.9 p -118.05 24.57 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' CYS . 20.1 mp0 35.12 41.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.637 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 69.7 mt-30 -90.69 128.32 36.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -93.92 54.6 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -144.23 106.38 4.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -42.5 -35.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.43 41.64 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.637 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -63.22 151.36 87.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.69 123.68 10.36 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.36 109.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 p -60.62 -33.61 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 42.3 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 31.4 m-70 -118.84 120.94 38.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -83.04 43.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.65 -160.17 19.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -132.27 169.11 16.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 66.5 t80 -103.14 103.09 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.89 144.99 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.38 44.5 7.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 54.42 39.84 66.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -173.77 161.56 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -80.12 172.69 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 29.9 mt -123.69 -21.39 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -84.46 -35.58 22.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.19 -21.98 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 43.3 mm-40 62.97 40.27 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.13 143.3 41.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.7 p -68.75 -52.98 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.53 153.49 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 17.5 ttmt -88.85 -58.3 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.58 42.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 152.16 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.489 0.661 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.78 129.15 17.09 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.24 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 16' ' ' HIS . . . -35.59 127.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.526 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 p -62.59 -45.73 91.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -102.73 117.73 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -88.86 42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 -172.75 25.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -116.59 174.76 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 33' ' ' LYS . 44.7 t80 -113.6 106.37 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.63 142.67 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.07 46.72 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.71 36.2 58.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -165.92 168.34 15.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -89.15 178.97 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 8.1 mp -118.94 -25.38 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 p -82.42 -42.24 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -116.3 -28.59 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 63.29 45.9 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.7 178.06 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -91.31 -54.42 3.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -74.9 164.56 26.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 26.0 mtpt -92.36 -47.0 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.62 40.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -76.41 155.49 83.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.3 Cg_endo -69.75 132.26 22.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.65 132.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -82.89 -34.79 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.3 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.54 115.37 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.4 p -80.8 45.02 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.19 -154.44 6.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' O ' HD13 ' A' ' 26' ' ' LEU . 37.4 m-85 -139.21 173.78 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 38.1 t80 -108.71 97.34 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' A' ' 26' ' ' LEU . 74.7 t -125.7 134.68 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.95 41.2 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.3 38.58 79.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -167.53 152.79 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -74.89 172.21 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD11 ' HB ' ' A' ' 21' ' ' VAL . 9.6 mp -115.26 -27.56 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -72.5 -49.88 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.8 p -124.1 22.78 8.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.8 mp0 34.47 38.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -86.45 102.23 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 m -42.95 -38.04 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.44 141.94 57.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.84 -48.58 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.0 39.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -79.49 162.93 61.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.74 143.3 50.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.75 101.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 p -55.38 -22.05 18.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.59 HG21 ' CE1' ' A' ' 15' ' ' TYR . 67.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -92.2 117.27 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 m -81.68 42.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.67 -165.98 23.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -118.36 155.81 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 33' ' ' LYS . 35.4 t80 -108.42 104.55 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.1 166.61 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 49.45 41.38 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 39.7 82.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -168.05 177.94 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -102.5 173.78 6.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 34.4 mt -124.36 -30.37 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.43 -39.39 74.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -122.23 -22.89 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 59.09 43.47 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -73.43 170.4 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 p -103.58 41.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.3 t -138.86 173.3 11.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 4.2 tppp? -103.95 -49.64 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.78 41.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -66.1 165.91 19.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 156.65 63.03 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' THR . . . -61.67 95.37 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 18.9 p -34.46 -35.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' GLY . 28.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 39' ' ' THR . 30.1 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.21 114.95 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -85.37 42.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.13 175.55 30.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 m-85 -90.21 178.01 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -138.45 111.46 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.859 HG22 HD11 ' A' ' 26' ' ' LEU . 4.5 m -141.83 151.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.74 36.57 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.01 47.92 88.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -174.64 159.58 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -88.91 161.65 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.859 HD11 HG22 ' A' ' 21' ' ' VAL . 10.4 mp -105.41 0.6 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -98.13 -45.55 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.29 21.07 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 40.41 38.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.43 155.74 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -116.76 45.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.34 154.48 33.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -83.95 -44.8 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.45 37.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 150.43 95.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.83 26.57 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.643 2.228 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.63 112.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.59 -18.45 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 86.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 2.7 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.908 0.385 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -91.91 117.64 29.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -85.01 46.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.68 44.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -87.67 176.71 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 47.3 t80 -133.96 104.89 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.32 164.23 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 48.5 43.43 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 52.87 43.0 60.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -167.17 150.3 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 62.0 m-85 -82.99 164.34 20.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 5.7 mp -113.49 -10.26 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -90.68 -37.55 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.82 -21.0 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 38.0 mm-40 58.94 40.06 22.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -77.81 175.55 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -112.14 53.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.702 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t -156.89 155.34 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -83.68 -50.3 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.5 35.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -52.99 155.46 4.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 138.31 37.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.33 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -36.75 131.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.45 -43.29 14.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 15' ' ' TYR . 12.2 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.884 0.373 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -99.36 124.24 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.417 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 8.5 t -83.42 42.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.31 -178.93 42.84 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.414 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.74 158.33 22.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -90.09 107.19 18.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.57 149.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 57.99 39.89 26.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 37.82 83.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -174.66 147.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.86 177.56 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.8 -28.83 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.417 ' HB3' ' C ' ' A' ' 17' ' ' SER . 2.1 p -69.78 -43.54 71.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLN . 4.5 p -125.99 22.13 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' CYS . 91.2 mm-40 35.9 38.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -86.66 117.33 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -88.62 43.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' LYS . 10.3 m -134.06 93.71 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' CYS . 59.4 tttm -35.38 -48.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.7 66.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -103.73 154.95 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.82 157.33 60.63 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.758 2.306 . . . . 0.0 112.332 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.41 126.2 40.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.1 p -83.82 -44.31 14.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CZ ' HG21 ' A' ' 39' ' ' THR . 42.0 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -112.64 125.14 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -79.96 44.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.62 -179.41 41.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -111.1 159.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 58.0 t80 -98.04 103.3 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -127.42 152.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.08 42.59 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.76 33.41 63.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -166.77 172.99 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -90.8 173.75 7.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 27.9 mt -124.02 -25.51 4.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -76.9 -39.81 49.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -119.24 -26.21 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 60.56 43.78 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -88.04 140.44 29.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 m -82.69 72.16 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.63 128.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -59.93 -41.0 90.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 32.92 4.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.47 153.51 0.58 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.78 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.8 112.65 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.433 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.5 p -69.82 -34.15 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.541 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 63.3 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.882 0.373 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -90.38 125.37 35.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -82.29 41.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.21 -176.97 36.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.61 162.24 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -91.66 97.46 11.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.74 144.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.56 45.3 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . 53.41 37.59 55.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 15.6 mtmm -168.89 168.57 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -87.1 172.04 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.83 -15.37 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 p -83.65 -44.61 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.3 p -128.32 19.55 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' CYS . 21.5 mp0 34.92 45.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 20.1 mt-30 -96.7 127.38 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -69.19 -36.95 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -48.67 156.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -94.77 -42.46 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.13 27.78 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.582 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -44.64 152.61 0.52 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.053 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.2 Cg_endo -69.76 129.64 17.95 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.415 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.49 107.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.2 p -65.68 -36.93 85.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.751 ' O ' HG22 ' A' ' 39' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -105.17 114.08 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.6 t -79.38 45.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.44 148.68 14.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' C ' HD13 ' A' ' 26' ' ' LEU . 61.5 m-85 -73.62 178.6 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 70.3 t80 -131.16 98.75 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 m -118.21 153.23 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 49.4 47.9 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 52.09 29.07 27.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.554 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -142.03 153.33 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -89.92 163.49 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' PHE . 8.4 mp -108.61 -16.05 14.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -89.12 -48.5 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLN . 16.7 p -131.34 15.66 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.1 mp0 34.41 37.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' CYS . 9.5 mt-30 -80.55 100.53 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -40.32 -39.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.9 m -64.82 122.22 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -67.37 -47.18 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.79 40.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.11 151.32 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 52.8 Cg_endo -69.91 128.26 15.64 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.44 105.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.82 -37.29 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 15' ' ' TYR . 15.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.453 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 46.5 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -120.52 128.66 53.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 p -85.13 36.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.17 -153.43 8.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -135.36 -177.57 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 44.2 t80 -118.75 100.47 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.79 138.87 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 70.2 39.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 58.49 38.58 91.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.462 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -173.5 155.7 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 92.7 m-85 -80.66 164.82 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -107.36 -36.93 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.69 -55.13 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -103.4 -35.15 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.08 45.84 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -78.08 -179.98 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -85.55 -50.64 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -55.25 159.74 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 30.2 tttm -94.29 -37.44 11.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -51.42 148.1 9.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 15' ' ' TYR . . . -34.87 114.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.0 p -57.19 -41.12 78.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -108.46 112.02 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -81.99 40.52 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.95 170.09 40.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' O ' HD23 ' A' ' 26' ' ' LEU . 64.1 m-85 -98.23 174.16 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 49.6 t80 -111.76 101.4 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.61 148.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 62.69 41.71 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.94 38.55 60.45 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -173.98 147.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -70.63 165.59 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 19' ' ' PHE . 3.8 mm? -107.6 -34.05 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -67.42 -47.86 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.5 p -111.87 -37.83 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 67.22 45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.5 176.66 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -110.3 45.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.12 128.89 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 26.8 mmtt -68.25 -48.57 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.76 38.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.42 149.25 86.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.656 0.741 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 171.47 14.42 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.92 105.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 8.2 p -49.1 -36.4 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -109.22 123.88 49.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -85.17 32.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.86 156.25 28.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -75.78 -177.69 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 37.5 t80 -129.06 101.25 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.898 HG22 HD21 ' A' ' 26' ' ' LEU . 3.2 m -133.31 174.64 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 45.06 43.72 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.35 40.52 61.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -171.61 172.55 4.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 25.5 m-85 -93.35 170.67 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -109.26 -19.37 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.99 -40.52 10.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 p -118.36 -20.59 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 54.93 47.64 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -85.37 122.68 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -46.64 -45.96 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 18.5 m -66.87 159.38 28.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -102.56 -52.16 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.6 37.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -80.06 161.83 64.2 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.594 0.712 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.85 149.46 66.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.79 127.11 37.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.41 -45.45 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -129.02 116.55 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -83.5 42.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.91 171.51 37.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.43 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -96.13 167.05 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' HD21 ' A' ' 26' ' ' LEU . 43.7 t -134.12 143.53 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.4 41.84 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.59 41.74 82.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -172.32 141.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -65.14 162.9 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 21' ' ' VAL . 3.4 mm? -105.0 -6.55 19.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.75 -51.7 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -101.25 -16.6 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 55.04 50.78 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -95.38 167.35 11.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 m -101.95 41.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 m -148.69 137.59 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -80.96 -43.93 18.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.8 40.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 148.13 81.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.01 55.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.393 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.07 113.14 1.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 20.0 p -76.01 -32.13 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 15' ' ' TYR . 2.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.23 112.93 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -80.58 43.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.38 -149.06 5.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -143.51 175.37 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 50.6 t80 -109.6 102.33 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -128.25 143.62 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 62.71 40.15 10.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 59.15 35.95 86.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -168.02 168.72 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -86.99 173.88 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -122.86 -16.88 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 p -83.71 -44.39 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLN . 14.2 p -129.65 23.48 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' CYS . 17.1 mp0 37.08 36.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.464 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 45.1 mt-30 -86.12 136.71 33.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -105.47 46.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.78 111.33 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -56.64 -34.89 67.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.23 49.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.995 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -96.45 150.92 37.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 132.93 24.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.4 115.34 0.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 p -61.29 -39.42 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.1 p90 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -100.4 120.53 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -83.3 41.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.43 -169.3 28.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -119.67 167.32 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.401 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 33' ' ' LYS . 56.4 t80 -115.81 90.01 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.616 HG22 HD21 ' A' ' 26' ' ' LEU . 27.5 m -120.22 145.69 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 67.27 28.23 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.65 34.3 83.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -160.56 154.63 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.46 157.6 18.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.616 HD21 HG22 ' A' ' 21' ' ' VAL . 3.8 mm? -107.1 -0.27 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.96 -50.9 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.78 17.09 14.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 39.73 30.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.16 124.85 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -60.14 -38.03 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.952 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.9 t -62.52 130.83 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . 20.3 ptmt -70.43 -41.13 73.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.57 36.88 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.952 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -61.22 165.48 6.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.744 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.67 131.27 21.0 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.49 122.75 2.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.416 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -75.22 -36.57 61.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -126.0 89.7 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.809 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -54.6 -46.29 73.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 141.78 7.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -105.5 42.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -92.62 168.61 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.59 -50.48 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -151.36 150.1 26.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.55 36.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 15.0 p-80 -103.85 115.03 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.1 -30.38 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.67 80.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -118.16 144.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -119.4 172.9 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -140.79 176.44 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -112.67 110.18 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -79.49 44.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.08 -149.45 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.549 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -136.35 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 13.9 t80 -118.15 95.42 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.46 142.42 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 56.7 34.98 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 63.63 14.36 54.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.58 144.61 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.32 158.8 32.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.4 mm? -105.57 -21.72 13.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.3 p -80.12 -47.85 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.42 -28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 59.54 43.74 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -62.09 179.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -85.22 -48.6 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -93.99 165.85 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.45 42.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -73.79 159.61 83.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.68 138.31 37.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.379 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.47 138.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.7 p -97.52 -40.02 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 m -69.27 89.2 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 41' ' ' TRP . 3.3 tt -99.92 154.23 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.68 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.8 t90 -68.7 83.77 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -148.75 163.21 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.0 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 45' ' ' SER . 24.4 p90 -70.57 -49.56 46.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.438 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 4.4 m -88.34 138.43 31.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.51 161.18 19.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.3 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 m -39.15 147.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.7 p -95.12 130.97 41.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -74.59 124.51 26.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 p -120.62 151.51 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.25 102.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 p -121.94 156.21 33.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.96 0.41 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -46.51 147.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.35 -150.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -66.63 150.77 97.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.9 29.19 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.747 2.298 . . . . 0.0 112.34 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -83.99 38.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -75.59 -47.08 28.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -56.41 -64.55 0.83 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -39.71 127.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -65.01 177.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -173.15 167.35 4.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -106.4 127.02 52.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 19.7 p -82.4 40.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.47 43.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.18 166.09 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -95.65 100.6 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -123.86 140.63 46.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.57 44.05 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.64 53.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -157.46 154.98 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.85 175.03 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.6 -11.02 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 17' ' ' SER . 7.5 p -90.51 -50.65 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.6 16.6 12.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 43.47 26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.74 135.48 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -80.86 -32.64 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.2 m -69.47 106.18 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -34.8 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.58 37.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.8 150.89 51.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.81 132.69 23.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -37.29 109.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.538 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 p -48.21 -34.56 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p -71.9 113.26 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.67 125.1 35.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -58.68 125.98 25.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -135.28 131.1 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.98 -49.31 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.2 t80 54.39 42.2 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.8 p -90.38 -43.98 9.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.37 176.06 21.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.05 49.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -123.69 -53.69 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.7 m 50.06 42.11 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.466 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -129.99 169.43 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m 50.96 42.13 27.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.69 -146.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -162.99 126.2 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.937 0.399 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -70.56 121.79 18.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.35 -133.31 6.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.45 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 4.0 t-20 -174.96 143.99 0.81 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.693 . . . . 0.0 110.958 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 53.7 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.43 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 3.1 m-70 -51.89 157.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -97.75 -29.5 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.4 pt? -100.42 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 10' ' ' HIS . 11.4 p -124.91 128.26 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -44.13 142.77 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -148.5 171.2 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -95.46 113.56 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -81.93 41.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.9 -175.36 34.72 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -119.48 158.95 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 81.4 t80 -94.51 102.57 14.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -132.28 137.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 73.85 39.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 59.72 33.01 75.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -170.8 170.99 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.99 173.55 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 38.2 mt -122.4 -25.6 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -76.13 -42.84 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 p -114.55 -21.94 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 35.4 mm-40 56.99 44.74 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -82.95 178.55 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -98.41 -53.08 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.2 m -58.79 136.4 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -70.76 -49.31 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.06 39.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 148.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.1 54.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 0.0 112.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 92.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 p -40.04 -46.42 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -72.72 81.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.56 179.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -97.46 33.3 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.96 165.56 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.27 44.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -69.54 99.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 p -118.27 -50.85 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.73 164.65 16.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -50.68 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -134.51 57.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 p -103.85 -50.95 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -160.67 172.75 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -84.04 121.18 27.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.71 42.55 1.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -162.52 124.84 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -101.09 139.11 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.53 104.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.68 159.5 1.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -14.54 35.94 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.618 2.212 . . . . 0.0 112.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -69.64 138.18 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.41 -39.02 13.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -111.2 43.24 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -48.18 135.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 40' ' ' LEU . 58.9 mmtt -113.83 176.67 4.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' A' ' 39' ' ' THR . 23.8 p90 -137.58 162.85 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -107.28 132.18 53.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 p -92.18 36.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.52 176.17 39.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -103.13 -176.76 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 53.8 t80 -118.44 111.48 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 22' ' ' ASP . 60.9 t -133.87 150.12 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CG ' HG12 ' A' ' 21' ' ' VAL . 37.1 m-20 50.94 46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 53.21 36.07 51.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -166.61 149.56 6.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.91 173.55 11.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.5 -22.57 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -74.73 -54.74 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 29' ' ' GLN . 7.9 p -118.05 24.57 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' CYS . 20.1 mp0 35.12 41.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.637 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 69.7 mt-30 -90.69 128.32 36.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -93.92 54.6 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -144.23 106.38 4.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -42.5 -35.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.43 41.64 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.637 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -63.22 151.36 87.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.69 123.68 10.36 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.742 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -35.36 109.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 p -60.62 -33.61 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 42.3 p -50.04 -32.2 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 37' ' ' GLY . 3.3 pp -36.33 149.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -96.52 166.6 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.26 129.72 20.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.95 141.95 28.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.169 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -93.5 146.21 23.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -112.58 105.2 13.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.89 155.2 6.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 143.58 51.7 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -99.39 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.4 m -61.67 -50.85 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.057 -0.857 . . . . 0.0 112.461 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -122.12 173.24 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -43.38 118.18 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.64 131.58 10.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -114.86 101.08 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -71.85 -54.63 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.36 -117.77 5.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -73.06 144.06 84.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.36 35.37 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.767 2.312 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -74.28 116.68 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.05 -45.07 2.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -97.08 95.85 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 13' ' ' VAL . 14.7 p -155.53 126.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -44.68 144.94 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -118.67 173.62 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 31.4 m-70 -118.84 120.94 38.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -83.04 43.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.65 -160.17 19.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -132.27 169.11 16.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 66.5 t80 -103.14 103.09 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.89 144.99 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.38 44.5 7.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 54.42 39.84 66.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -173.77 161.56 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -80.12 172.69 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 29.9 mt -123.69 -21.39 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -84.46 -35.58 22.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.19 -21.98 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 43.3 mm-40 62.97 40.27 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.13 143.3 41.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.7 p -68.75 -52.98 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.53 153.49 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 17.5 ttmt -88.85 -58.3 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.58 42.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 152.16 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.489 0.661 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.78 129.15 17.09 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.24 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 16' ' ' HIS . . . -35.59 127.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.526 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 p -62.59 -45.73 91.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.5 p -71.6 121.11 18.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.824 HD23 ' N ' ' A' ' 41' ' ' TRP . 6.9 tt -111.13 152.64 26.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.824 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -36.42 -70.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' TRP . 73.8 mm-40 -35.52 130.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.71 -178.21 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -150.91 167.51 27.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -59.2 -55.14 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.83 83.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 123.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -40.19 132.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -109.89 157.76 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -93.64 109.66 21.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 p -137.9 145.95 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.88 80.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -128.31 148.34 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -156.77 144.37 19.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.71 91.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -109.74 80.17 1.59 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 53.8 Cg_endo -69.69 1.22 4.59 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.384 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' PRO . 42.8 p-80 45.0 41.93 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.38 -28.06 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.4 tp -107.24 -57.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . 89.9 t -34.06 127.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -63.15 126.54 27.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.26 168.73 9.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -102.73 117.73 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -88.86 42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 -172.75 25.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -116.59 174.76 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 33' ' ' LYS . 44.7 t80 -113.6 106.37 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.63 142.67 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.07 46.72 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.71 36.2 58.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -165.92 168.34 15.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -89.15 178.97 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 8.1 mp -118.94 -25.38 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 p -82.42 -42.24 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -116.3 -28.59 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 63.29 45.9 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.7 178.06 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -91.31 -54.42 3.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -74.9 164.56 26.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 26.0 mtpt -92.36 -47.0 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.62 40.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -76.41 155.49 83.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.3 Cg_endo -69.75 132.26 22.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.65 132.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -82.89 -34.79 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.0 m -69.29 118.81 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -130.25 -4.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -82.57 39.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.98 151.59 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.2 120.1 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -108.54 39.01 2.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -99.19 -56.64 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.93 146.35 14.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -1.45 8.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m -83.17 101.69 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.3 m -122.77 175.45 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.449 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -113.37 96.26 5.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -79.8 99.88 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.38 -139.24 10.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -75.74 163.15 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -118.68 42.41 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.26 -159.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.492 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -92.14 144.02 28.46 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 86.63 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -93.35 93.47 8.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -90.36 -39.64 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -106.85 95.24 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 ' CD2' ' A' ' 10' ' ' HIS . 34.8 m -116.62 147.99 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 47.6 mttt -84.04 90.6 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.3 p90 -109.64 179.24 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.54 115.37 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.4 p -80.8 45.02 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.19 -154.44 6.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' O ' HD13 ' A' ' 26' ' ' LEU . 37.4 m-85 -139.21 173.78 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 38.1 t80 -108.71 97.34 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' A' ' 26' ' ' LEU . 74.7 t -125.7 134.68 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.95 41.2 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.3 38.58 79.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -167.53 152.79 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -74.89 172.21 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD11 ' HB ' ' A' ' 21' ' ' VAL . 9.6 mp -115.26 -27.56 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -72.5 -49.88 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.8 p -124.1 22.78 8.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.8 mp0 34.47 38.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -86.45 102.23 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 m -42.95 -38.04 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.44 141.94 57.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.84 -48.58 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.0 39.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -79.49 162.93 61.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.74 143.3 50.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' C ' ' A' ' 14' ' ' LYS . . . -54.75 101.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' O ' HD23 ' A' ' 40' ' ' LEU . 26.3 p -55.38 -22.05 18.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.59 HG21 ' CE1' ' A' ' 15' ' ' TYR . 67.5 p -61.74 -27.36 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' THR . 1.4 pt? -35.01 144.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.499 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 1.3 p90 -44.78 144.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 43' ' ' ALA . 39.6 mt-10 -139.33 164.15 30.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -35.36 101.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.82 -64.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -172.17 179.22 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.37 163.39 31.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 84.93 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -125.25 158.03 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.1 t -108.31 106.37 16.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.492 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 p -142.16 158.82 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -169.01 176.52 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.08 147.66 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -147.12 173.1 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -57.81 -61.96 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -178.38 15.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.551 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -114.35 76.54 3.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.517 0.675 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 1.68 4.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.626 2.217 . . . . 0.0 112.404 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -62.21 90.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -44.17 -43.49 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.5 pt? -122.79 132.96 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -149.57 150.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -101.3 171.19 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.49 176.84 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -92.2 117.27 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 m -81.68 42.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.67 -165.98 23.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -118.36 155.81 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 33' ' ' LYS . 35.4 t80 -108.42 104.55 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.1 166.61 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 49.45 41.38 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 39.7 82.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -168.05 177.94 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -102.5 173.78 6.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 34.4 mt -124.36 -30.37 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.43 -39.39 74.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -122.23 -22.89 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 59.09 43.47 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.43 170.4 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 p -103.58 41.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.3 t -138.86 173.3 11.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 4.2 tppp? -103.95 -49.64 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.78 41.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -66.1 165.91 19.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 156.65 63.03 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' THR . . . -61.67 95.37 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 18.9 p -34.46 -35.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' GLY . 28.0 m -73.33 73.25 1.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 41' ' ' TRP . 15.7 tp -102.16 154.58 18.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 m95 -94.78 47.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.6 pt-20 -71.05 141.98 50.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.18 44.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.2 t80 66.66 42.94 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -113.9 41.93 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.803 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.57 155.68 26.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -174.94 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -97.65 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.1 p -159.99 173.86 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.453 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -119.28 -47.43 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m 57.24 42.45 25.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.59 177.54 46.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -160.98 163.19 31.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -43.43 145.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.65 85.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.07 151.82 38.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.712 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.33 47.5 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -71.66 91.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.7 tp -85.02 -48.73 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.53 93.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.51 142.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.96 167.65 10.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 39' ' ' THR . 30.1 p90 -136.89 164.44 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.21 114.95 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -85.37 42.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.13 175.55 30.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 m-85 -90.21 178.01 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -138.45 111.46 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.859 HG22 HD11 ' A' ' 26' ' ' LEU . 4.5 m -141.83 151.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.74 36.57 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.01 47.92 88.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -174.64 159.58 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -88.91 161.65 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.859 HD11 HG22 ' A' ' 21' ' ' VAL . 10.4 mp -105.41 0.6 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -98.13 -45.55 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.29 21.07 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 40.41 38.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.43 155.74 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -116.76 45.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.34 154.48 33.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -83.95 -44.8 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.45 37.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 150.43 95.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.83 26.57 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.643 2.228 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.63 112.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.59 -18.45 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 86.2 m -70.34 111.31 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -134.73 129.08 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.0 m95 46.65 50.67 12.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.73 139.19 48.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.42 148.41 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -121.72 108.57 13.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -147.39 109.48 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.32 83.39 0.14 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.5 7.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.753 2.302 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -148.17 159.75 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 p -173.33 171.75 3.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.481 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -141.45 169.65 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -42.96 112.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 -91.77 1.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -62.5 145.17 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 m -147.78 144.35 28.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.46 68.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 12.4 p-10 -134.94 80.61 48.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -131.65 166.93 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 tp -167.19 141.57 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.41 46.68 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.51 144.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -43.78 129.88 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 2.7 p90 -129.79 176.55 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -91.91 117.64 29.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -85.01 46.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.68 44.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -87.67 176.71 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 47.3 t80 -133.96 104.89 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.32 164.23 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 48.5 43.43 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 52.87 43.0 60.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -167.17 150.3 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 62.0 m-85 -82.99 164.34 20.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 5.7 mp -113.49 -10.26 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -90.68 -37.55 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.82 -21.0 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 38.0 mm-40 58.94 40.06 22.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -77.81 175.55 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -112.14 53.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.702 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t -156.89 155.34 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -83.68 -50.3 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.5 35.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -52.99 155.46 4.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 138.31 37.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.33 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -36.75 131.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.45 -43.29 14.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 15' ' ' TYR . 12.2 t -55.26 134.04 49.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 41' ' ' TRP . 0.4 OUTLIER -108.48 136.34 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.684 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -34.36 117.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -149.48 174.37 12.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.98 -61.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -172.62 176.2 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.7 p 43.74 42.62 4.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 -81.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.58 37.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -88.63 166.73 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -91.78 100.35 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.507 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -92.81 160.61 14.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -98.92 -60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.93 -149.36 37.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -79.82 165.55 22.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -112.88 133.79 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.1 -76.02 1.15 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 7.8 t-20 66.42 54.48 0.89 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 8' ' ' ASN . 53.8 Cg_endo -69.79 1.6 4.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.83 131.45 47.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.14 -53.67 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.34 113.85 27.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -129.35 143.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 168.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -136.53 172.21 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -99.36 124.24 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 8.5 t -83.42 42.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.31 -178.93 42.84 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.414 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.74 158.33 22.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -90.09 107.19 18.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.57 149.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 57.99 39.89 26.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 37.82 83.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -174.66 147.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.86 177.56 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.8 -28.83 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.417 ' HB3' ' C ' ' A' ' 17' ' ' SER . 2.1 p -69.78 -43.54 71.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLN . 4.5 p -125.99 22.13 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' CYS . 91.2 mm-40 35.9 38.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -86.66 117.33 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -88.62 43.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' LYS . 10.3 m -134.06 93.71 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' CYS . 59.4 tttm -35.38 -48.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.7 66.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -103.73 154.95 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.82 157.33 60.63 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.758 2.306 . . . . 0.0 112.332 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.41 126.2 40.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.1 p -83.82 -44.31 14.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.539 HG23 ' HE1' ' A' ' 41' ' ' TRP . 21.2 m -67.24 84.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 40' ' ' LEU . 3.1 pp -123.47 -4.97 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.539 ' HE1' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -72.47 80.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -117.72 41.86 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 42.28 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.61 -46.28 8.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.7 p -103.41 90.26 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.2 77.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.427 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.95 7.42 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.679 2.252 . . . . 0.0 112.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 m -126.58 106.93 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -166.39 105.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.446 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -111.73 -60.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.817 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -130.29 154.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.14 -49.92 0.26 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -65.27 -50.27 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -57.24 165.01 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.27 127.26 3.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -145.75 152.54 48.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.694 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -177.53 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.788 2.325 . . . . 0.0 112.353 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -59.71 94.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.48 -60.93 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -109.49 82.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.2 m -54.73 135.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -54.06 161.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CZ ' HG21 ' A' ' 39' ' ' THR . 42.0 p90 -145.77 172.91 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -112.64 125.14 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -79.96 44.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.62 -179.41 41.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -111.1 159.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 58.0 t80 -98.04 103.3 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -127.42 152.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.08 42.59 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.76 33.41 63.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -166.77 172.99 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -90.8 173.75 7.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 27.9 mt -124.02 -25.51 4.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -76.9 -39.81 49.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -119.24 -26.21 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 60.56 43.78 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -88.04 140.44 29.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 m -82.69 72.16 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.63 128.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -59.93 -41.0 90.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 32.92 4.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.47 153.51 0.58 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.78 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.8 112.65 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.433 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.5 p -69.82 -34.15 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.541 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 63.3 m -49.35 -32.56 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 41' ' ' TRP . 1.9 tt -34.84 130.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.594 ' N ' HD23 ' A' ' 40' ' ' LEU . 39.2 m95 -38.16 -64.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.52 127.67 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.2 84.85 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 2.3 p90 -42.56 117.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 t -88.05 174.02 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.11 67.68 1.57 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 163.97 36.35 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.749 2.299 . . . . 0.0 112.293 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -143.32 140.87 30.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.2 p -58.4 90.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.49 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -133.56 171.24 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -135.15 166.8 22.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.99 95.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -113.06 115.05 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -123.84 127.65 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.77 -88.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -124.92 145.2 49.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.56 28.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.0 154.2 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.3 tp -87.95 -50.99 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.42 71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 13' ' ' VAL . 38.9 t -132.61 45.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -65.19 179.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -140.93 158.7 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -90.38 125.37 35.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -82.29 41.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.21 -176.97 36.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.61 162.24 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -91.66 97.46 11.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.74 144.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.56 45.3 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . 53.41 37.59 55.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 15.6 mtmm -168.89 168.57 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -87.1 172.04 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.83 -15.37 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 p -83.65 -44.61 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.3 p -128.32 19.55 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' CYS . 21.5 mp0 34.92 45.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.582 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 20.1 mt-30 -96.7 127.38 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -69.19 -36.95 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -48.67 156.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -94.77 -42.46 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.13 27.78 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.582 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -44.64 152.61 0.52 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.053 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.2 Cg_endo -69.76 129.64 17.95 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.415 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.49 107.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.2 p -65.68 -36.93 85.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 118.11 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -111.81 162.88 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -91.68 100.92 13.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -150.99 126.22 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.94 -60.7 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.24 116.26 10.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 m -119.49 -47.34 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.94 67.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -47.9 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -93.88 106.81 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.5 t -77.36 89.04 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.468 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m -70.91 -52.67 18.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.762 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -81.9 149.22 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.68 120.38 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -120.34 151.08 39.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.794 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -116.83 124.41 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.74 73.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -153.86 150.32 22.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -3.17 11.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -132.79 131.94 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.803 HD23 ' H ' ' A' ' 11' ' ' LEU . 2.2 pt? -116.22 -43.36 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 14.0 tp -134.0 103.98 6.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -142.23 107.67 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -129.5 168.49 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.751 ' O ' HG22 ' A' ' 39' ' ' THR . 0.4 OUTLIER -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -105.17 114.08 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.6 t -79.38 45.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.44 148.68 14.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' C ' HD13 ' A' ' 26' ' ' LEU . 61.5 m-85 -73.62 178.6 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 70.3 t80 -131.16 98.75 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 m -118.21 153.23 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 49.4 47.9 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 52.09 29.07 27.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.554 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -142.03 153.33 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -89.92 163.49 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' PHE . 8.4 mp -108.61 -16.05 14.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -89.12 -48.5 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLN . 16.7 p -131.34 15.66 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.1 mp0 34.41 37.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' CYS . 9.5 mt-30 -80.55 100.53 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -40.32 -39.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.9 m -64.82 122.22 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -67.37 -47.18 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.79 40.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.11 151.32 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 52.8 Cg_endo -69.91 128.26 15.64 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.44 105.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.82 -37.29 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 15' ' ' TYR . 15.2 t -72.54 164.73 25.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 41' ' ' TRP . 2.4 tt -163.28 131.15 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.511 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.6 t90 -46.02 -59.45 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -88.69 111.95 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -124.38 143.8 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -84.35 42.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -53.83 108.75 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.46 -91.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.43 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 85.93 0.6 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.77 2.313 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.5 p -111.65 156.23 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' GLY . 18.9 m -83.48 162.09 21.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -152.66 171.48 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -120.27 104.7 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.52 124.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -87.65 42.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m 39.01 42.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.1 -142.74 14.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -149.18 151.97 35.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -30.97 21.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.728 2.286 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.27 174.73 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 tp -165.49 138.24 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.98 43.04 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 13' ' ' VAL . 24.4 t -128.86 45.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' CD ' ' HB2' ' A' ' 40' ' ' LEU . 25.8 mtmm -116.49 174.91 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.453 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 46.5 p90 -128.47 177.71 6.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -120.52 128.66 53.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 p -85.13 36.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.17 -153.43 8.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -135.36 -177.57 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 44.2 t80 -118.75 100.47 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.79 138.87 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 70.2 39.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 58.49 38.58 91.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.462 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -173.5 155.7 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 92.7 m-85 -80.66 164.82 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -107.36 -36.93 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.69 -55.13 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -103.4 -35.15 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.08 45.84 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -78.08 -179.98 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -85.55 -50.64 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -55.25 159.74 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 30.2 tttm -94.29 -37.44 11.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -51.42 148.1 9.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 15' ' ' TYR . . . -34.87 114.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.0 p -57.19 -41.12 78.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.7 p -59.96 101.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.451 HD12 ' H ' ' A' ' 41' ' ' TRP . 12.9 tp -133.64 145.46 49.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' H ' HD12 ' A' ' 40' ' ' LEU . 4.9 m0 -47.99 -56.8 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' TRP . 4.9 mm-40 -34.65 114.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.96 168.53 26.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -88.84 163.21 15.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.5 p -97.59 95.2 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.9 -158.15 34.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -70.87 -51.66 24.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -67.13 119.9 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.472 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -119.33 156.3 30.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.92 -41.05 0.32 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -46.05 119.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -125.66 152.81 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 167.28 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.11 81.15 7.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.1 41.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.38 -55.82 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -118.31 106.22 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' LYS . 8.6 p -156.23 160.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HG3' ' CB ' ' A' ' 40' ' ' LEU . 12.1 mtmt -52.14 120.83 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.09 175.9 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -108.46 112.02 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -81.99 40.52 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.95 170.09 40.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' O ' HD23 ' A' ' 26' ' ' LEU . 64.1 m-85 -98.23 174.16 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 49.6 t80 -111.76 101.4 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.61 148.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 62.69 41.71 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.94 38.55 60.45 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -173.98 147.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -70.63 165.59 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 19' ' ' PHE . 3.8 mm? -107.6 -34.05 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -67.42 -47.86 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.5 p -111.87 -37.83 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 67.22 45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.5 176.66 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -110.3 45.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.12 128.89 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 26.8 mmtt -68.25 -48.57 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.76 38.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.42 149.25 86.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.656 0.741 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 171.47 14.42 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.92 105.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 8.2 p -49.1 -36.4 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -97.81 154.0 17.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 2.0 pt? -156.78 174.71 15.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.444 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 1.4 p90 -42.23 143.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -139.95 116.15 10.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.78 -54.48 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -124.99 124.72 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -90.91 135.97 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.41 143.67 8.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -93.63 145.23 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -152.65 117.26 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.512 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 p -62.79 155.07 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.82 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -55.02 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.6 124.08 0.69 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -75.17 103.28 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -93.25 91.41 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.98 -139.18 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.459 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 3.0 t30 -112.32 80.51 3.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -76.32 145.66 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.101 HD21 HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -149.89 133.22 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.101 HD12 HD21 ' A' ' 11' ' ' LEU . 14.2 mt 62.02 49.19 4.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 m -104.01 145.42 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -76.13 156.37 33.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -147.88 177.16 9.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -109.22 123.88 49.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -85.17 32.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.86 156.25 28.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -75.78 -177.69 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 37.5 t80 -129.06 101.25 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.898 HG22 HD21 ' A' ' 26' ' ' LEU . 3.2 m -133.31 174.64 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 45.06 43.72 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.35 40.52 61.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -171.61 172.55 4.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 25.5 m-85 -93.35 170.67 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -109.26 -19.37 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.99 -40.52 10.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 p -118.36 -20.59 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 54.93 47.64 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -85.37 122.68 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -46.64 -45.96 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 18.5 m -66.87 159.38 28.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -102.56 -52.16 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.6 37.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -80.06 161.83 64.2 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.594 0.712 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.85 149.46 66.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.79 127.11 37.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.41 -45.45 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.3 m -58.35 94.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -163.48 155.04 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -115.39 158.75 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -134.12 174.23 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.98 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -104.13 130.09 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.3 m -102.13 42.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.85 79.64 1.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.459 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.06 2.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.6 t -87.9 158.41 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -45.83 123.24 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.462 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -166.38 117.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -129.45 99.71 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -116.42 153.88 31.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 m -93.93 -55.13 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.62 120.2 4.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -77.03 144.84 72.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.02 24.55 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -73.08 131.73 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.663 HD21 HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -157.46 138.68 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD12 HD21 ' A' ' 11' ' ' LEU . 19.2 mt 48.31 43.59 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 36' ' ' PRO . 6.1 m -106.77 137.54 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.705 ' HD3' HD23 ' A' ' 40' ' ' LEU . 7.6 mtmt -130.94 -73.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -174.85 175.53 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -129.02 116.55 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -83.5 42.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.91 171.51 37.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.43 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -96.13 167.05 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' HD21 ' A' ' 26' ' ' LEU . 43.7 t -134.12 143.53 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.4 41.84 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.59 41.74 82.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -172.32 141.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -65.14 162.9 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 21' ' ' VAL . 3.4 mm? -105.0 -6.55 19.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.75 -51.7 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -101.25 -16.6 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 55.04 50.78 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -95.38 167.35 11.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 m -101.95 41.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 m -148.69 137.59 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -80.96 -43.93 18.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.8 40.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 148.13 81.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HA ' HG12 ' A' ' 13' ' ' VAL . 53.8 Cg_endo -69.73 159.01 55.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.393 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.07 113.14 1.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 20.0 p -76.01 -32.13 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 15' ' ' TYR . 2.5 m -95.65 143.05 27.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 ' HD3' ' A' ' 14' ' ' LYS . 13.5 mt -99.56 156.81 16.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CH2' ' HB3' ' A' ' 14' ' ' LYS . 18.3 m95 -46.89 -48.27 21.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 42' ' ' GLU . 1.7 pp20? -80.91 42.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.72 124.87 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -83.49 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -46.63 100.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.82 -158.64 8.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' SER . 53.3 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' PRO . 95.1 p -34.87 130.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.1 p -111.06 -45.84 3.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t 39.88 41.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -59.05 -54.37 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.9 157.44 33.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -60.53 -44.61 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 p -76.33 103.88 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.32 -120.82 3.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -101.89 144.01 27.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 43.97 44.86 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.68 -48.19 6.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.73 45.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' LYS . 65.4 t -133.47 130.75 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' VAL . 9.8 mtmp? -34.55 119.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.96 -179.95 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.23 112.93 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -80.58 43.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.38 -149.06 5.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -143.51 175.37 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 50.6 t80 -109.6 102.33 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -128.25 143.62 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 62.71 40.15 10.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 59.15 35.95 86.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -168.02 168.72 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -86.99 173.88 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -122.86 -16.88 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 p -83.71 -44.39 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLN . 14.2 p -129.65 23.48 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' CYS . 17.1 mp0 37.08 36.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.464 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 45.1 mt-30 -86.12 136.71 33.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -105.47 46.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.78 111.33 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -56.64 -34.89 67.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.23 49.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.995 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -96.45 150.92 37.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 132.93 24.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.4 115.34 0.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 p -61.29 -39.42 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -72.03 91.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 HD23 ' C ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -118.23 -13.9 9.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.53 46.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -84.95 35.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.78 47.43 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 6.2 t80 -85.41 85.89 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 m -67.26 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.91 149.13 5.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' SER . 52.8 Cg_endo -69.83 -1.67 8.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' PRO . 16.4 m -34.7 123.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.3 m -46.03 157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.407 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -56.05 -60.05 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -132.2 142.84 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.73 -133.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -170.33 136.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -50.05 111.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.54 -56.53 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.82 141.07 67.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 168.81 20.56 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.763 2.309 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -43.2 131.7 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -158.49 139.5 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD12 ' HG ' ' A' ' 11' ' ' LEU . 2.9 mp 46.26 44.52 12.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -87.02 134.12 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -54.31 120.07 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -127.48 171.32 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -100.4 120.53 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -83.3 41.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.43 -169.3 28.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -119.67 167.32 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.401 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 33' ' ' LYS . 56.4 t80 -115.81 90.01 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.616 HG22 HD21 ' A' ' 26' ' ' LEU . 27.5 m -120.22 145.69 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 67.27 28.23 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.65 34.3 83.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -160.56 154.63 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.46 157.6 18.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.616 HD21 HG22 ' A' ' 21' ' ' VAL . 3.8 mm? -107.1 -0.27 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.96 -50.9 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.78 17.09 14.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 39.73 30.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.16 124.85 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -60.14 -38.03 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.952 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.9 t -62.52 130.83 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . 20.3 ptmt -70.43 -41.13 73.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.57 36.88 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.952 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -61.22 165.48 6.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.744 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.67 131.27 21.0 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.49 122.75 2.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.416 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -75.22 -36.57 61.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 42' ' ' GLU . 7.2 m -71.71 90.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 40' ' ' LEU . 3.2 pp -132.78 159.82 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' HD1' HD13 ' A' ' 40' ' ' LEU . 90.1 m95 33.32 52.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' A' ' 39' ' ' THR . 1.2 pp20? -113.99 38.28 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.93 -48.39 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -48.42 119.63 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.1 p -72.98 179.49 3.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 146.88 48.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -32.98 17.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 p -122.92 164.37 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t 51.0 41.7 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.502 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.917 0.389 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -112.67 110.18 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -79.49 44.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.08 -149.45 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.549 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -136.35 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 13.9 t80 -118.15 95.42 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.46 142.42 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 56.7 34.98 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 63.63 14.36 54.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.58 144.61 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.32 158.8 32.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.4 mm? -105.57 -21.72 13.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.3 p -80.12 -47.85 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.42 -28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 59.54 43.74 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -62.09 179.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -85.22 -48.6 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -93.99 165.85 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.45 42.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -73.79 159.61 83.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.68 138.31 37.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.379 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.47 138.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.7 p -97.52 -40.02 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.957 0.408 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -106.4 127.02 52.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 19.7 p -82.4 40.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.47 43.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.18 166.09 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -95.65 100.6 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -123.86 140.63 46.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.57 44.05 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.64 53.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -157.46 154.98 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.85 175.03 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.6 -11.02 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 17' ' ' SER . 7.5 p -90.51 -50.65 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.6 16.6 12.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 43.47 26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.74 135.48 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -80.86 -32.64 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.2 m -69.47 106.18 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -34.8 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.58 37.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.8 150.89 51.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.81 132.69 23.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -37.29 109.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.538 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 p -48.21 -34.56 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -95.46 113.56 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -81.93 41.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.9 -175.36 34.72 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -119.48 158.95 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 81.4 t80 -94.51 102.57 14.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -132.28 137.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 73.85 39.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 59.72 33.01 75.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -170.8 170.99 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.99 173.55 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 38.2 mt -122.4 -25.6 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -76.13 -42.84 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 p -114.55 -21.94 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 35.4 mm-40 56.99 44.74 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -82.95 178.55 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -98.41 -53.08 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.2 m -58.79 136.4 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -70.76 -49.31 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.06 39.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 148.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.1 54.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 0.0 112.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 92.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 p -40.04 -46.42 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' A' ' 39' ' ' THR . 23.8 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.379 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -107.28 132.18 53.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 p -92.18 36.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.52 176.17 39.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -103.13 -176.76 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 53.8 t80 -118.44 111.48 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 22' ' ' ASP . 60.9 t -133.87 150.12 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CG ' HG12 ' A' ' 21' ' ' VAL . 37.1 m-20 50.94 46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 53.21 36.07 51.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -166.61 149.56 6.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.91 173.55 11.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.5 -22.57 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -74.73 -54.74 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 29' ' ' GLN . 7.9 p -118.05 24.57 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' CYS . 20.1 mp0 35.12 41.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.637 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 69.7 mt-30 -90.69 128.32 36.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -93.92 54.6 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -144.23 106.38 4.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -42.5 -35.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.43 41.64 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.637 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -63.22 151.36 87.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.69 123.68 10.36 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.36 109.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 p -60.62 -33.61 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 42.3 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 p90 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 31.4 m-70 -118.84 120.94 38.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -83.04 43.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.65 -160.17 19.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -132.27 169.11 16.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 66.5 t80 -103.14 103.09 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.89 144.99 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.38 44.5 7.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 54.42 39.84 66.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -173.77 161.56 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -80.12 172.69 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 29.9 mt -123.69 -21.39 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -84.46 -35.58 22.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.19 -21.98 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 43.3 mm-40 62.97 40.27 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.13 143.3 41.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.7 p -68.75 -52.98 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.53 153.49 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 17.5 ttmt -88.85 -58.3 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.58 42.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 152.16 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.489 0.661 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.78 129.15 17.09 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.24 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 16' ' ' HIS . . . -35.59 127.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.526 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 p -62.59 -45.73 91.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -102.73 117.73 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -88.86 42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 -172.75 25.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -116.59 174.76 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 33' ' ' LYS . 44.7 t80 -113.6 106.37 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.63 142.67 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.07 46.72 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.71 36.2 58.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -165.92 168.34 15.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -89.15 178.97 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 8.1 mp -118.94 -25.38 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 p -82.42 -42.24 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -116.3 -28.59 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 63.29 45.9 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.7 178.06 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -91.31 -54.42 3.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -74.9 164.56 26.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 26.0 mtpt -92.36 -47.0 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.62 40.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -76.41 155.49 83.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.3 Cg_endo -69.75 132.26 22.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.65 132.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -82.89 -34.79 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.3 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.54 115.37 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.4 p -80.8 45.02 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.19 -154.44 6.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' O ' HD13 ' A' ' 26' ' ' LEU . 37.4 m-85 -139.21 173.78 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 38.1 t80 -108.71 97.34 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' A' ' 26' ' ' LEU . 74.7 t -125.7 134.68 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.95 41.2 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.3 38.58 79.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -167.53 152.79 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -74.89 172.21 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD11 ' HB ' ' A' ' 21' ' ' VAL . 9.6 mp -115.26 -27.56 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -72.5 -49.88 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.8 p -124.1 22.78 8.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.8 mp0 34.47 38.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' NE2' ' HB1' ' A' ' 35' ' ' ALA . 8.7 mt-30 -86.45 102.23 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 m -42.95 -38.04 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.44 141.94 57.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.84 -48.58 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.0 39.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -79.49 162.93 61.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.74 143.3 50.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.75 101.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 p -55.38 -22.05 18.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.59 HG21 ' CE1' ' A' ' 15' ' ' TYR . 67.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -92.2 117.27 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 m -81.68 42.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.67 -165.98 23.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -118.36 155.81 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 33' ' ' LYS . 35.4 t80 -108.42 104.55 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.1 166.61 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 49.45 41.38 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 39.7 82.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -168.05 177.94 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -102.5 173.78 6.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 34.4 mt -124.36 -30.37 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.43 -39.39 74.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -122.23 -22.89 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 59.09 43.47 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.43 170.4 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 p -103.58 41.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.3 t -138.86 173.3 11.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 4.2 tppp? -103.95 -49.64 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.78 41.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -66.1 165.91 19.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 156.65 63.03 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' THR . . . -61.67 95.37 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 18.9 p -34.46 -35.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' GLY . 28.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 39' ' ' THR . 30.1 p90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.21 114.95 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -85.37 42.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.13 175.55 30.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 m-85 -90.21 178.01 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -138.45 111.46 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.859 HG22 HD11 ' A' ' 26' ' ' LEU . 4.5 m -141.83 151.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.74 36.57 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.01 47.92 88.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -174.64 159.58 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -88.91 161.65 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.859 HD11 HG22 ' A' ' 21' ' ' VAL . 10.4 mp -105.41 0.6 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -98.13 -45.55 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.29 21.07 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 5.7 mm100 40.41 38.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.43 155.74 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -116.76 45.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.34 154.48 33.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -83.95 -44.8 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.45 37.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 150.43 95.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.83 26.57 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.643 2.228 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.63 112.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.59 -18.45 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 86.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 2.7 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.908 0.385 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -91.91 117.64 29.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -85.01 46.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.68 44.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -87.67 176.71 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 47.3 t80 -133.96 104.89 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.32 164.23 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 48.5 43.43 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 52.87 43.0 60.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -167.17 150.3 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 62.0 m-85 -82.99 164.34 20.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 5.7 mp -113.49 -10.26 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -90.68 -37.55 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.82 -21.0 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 38.0 mm-40 58.94 40.06 22.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -77.81 175.55 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -112.14 53.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.702 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t -156.89 155.34 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -83.68 -50.3 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.5 35.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -52.99 155.46 4.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 138.31 37.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.33 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -36.75 131.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.45 -43.29 14.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 15' ' ' TYR . 12.2 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.884 0.373 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -99.36 124.24 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.417 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 8.5 t -83.42 42.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.31 -178.93 42.84 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.414 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.74 158.33 22.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -90.09 107.19 18.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.57 149.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 57.99 39.89 26.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 37.82 83.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -174.66 147.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.86 177.56 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.8 -28.83 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.417 ' HB3' ' C ' ' A' ' 17' ' ' SER . 2.1 p -69.78 -43.54 71.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLN . 4.5 p -125.99 22.13 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' CYS . 91.2 mm-40 35.9 38.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -86.66 117.33 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -88.62 43.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' LYS . 10.3 m -134.06 93.71 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' CYS . 59.4 tttm -35.38 -48.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.7 66.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -103.73 154.95 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.82 157.33 60.63 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.758 2.306 . . . . 0.0 112.332 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.41 126.2 40.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.1 p -83.82 -44.31 14.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CZ ' HG21 ' A' ' 39' ' ' THR . 42.0 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -112.64 125.14 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -79.96 44.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.62 -179.41 41.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -111.1 159.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 58.0 t80 -98.04 103.3 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -127.42 152.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.08 42.59 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.76 33.41 63.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -166.77 172.99 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -90.8 173.75 7.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 27.9 mt -124.02 -25.51 4.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -76.9 -39.81 49.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -119.24 -26.21 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 60.56 43.78 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -88.04 140.44 29.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 m -82.69 72.16 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.63 128.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -59.93 -41.0 90.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 32.92 4.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.47 153.51 0.58 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.78 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.8 112.65 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.433 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.5 p -69.82 -34.15 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.541 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 63.3 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.882 0.373 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -90.38 125.37 35.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -82.29 41.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.21 -176.97 36.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.61 162.24 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -91.66 97.46 11.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.74 144.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.56 45.3 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . 53.41 37.59 55.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 15.6 mtmm -168.89 168.57 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -87.1 172.04 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.83 -15.37 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 p -83.65 -44.61 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.3 p -128.32 19.55 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' CYS . 21.5 mp0 34.92 45.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.732 ' NE2' ' HB1' ' A' ' 35' ' ' ALA . 12.5 mt-30 -96.7 127.38 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -69.19 -36.95 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -48.67 156.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -94.77 -42.46 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.13 27.78 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.732 ' HB1' ' NE2' ' A' ' 30' ' ' GLN . . . -44.64 152.61 0.52 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.053 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.2 Cg_endo -69.76 129.64 17.95 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.415 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.49 107.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.2 p -65.68 -36.93 85.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.751 ' O ' HG22 ' A' ' 39' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -105.17 114.08 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.6 t -79.38 45.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.44 148.68 14.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' C ' HD13 ' A' ' 26' ' ' LEU . 61.5 m-85 -73.62 178.6 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 70.3 t80 -131.16 98.75 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 m -118.21 153.23 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 49.4 47.9 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 52.09 29.07 27.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.554 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -142.03 153.33 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -89.92 163.49 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' PHE . 8.4 mp -108.61 -16.05 14.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -89.12 -48.5 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLN . 16.7 p -131.34 15.66 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.1 mp0 34.41 37.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' CYS . 9.5 mt-30 -80.55 100.53 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -40.32 -39.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.9 m -64.82 122.22 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -67.37 -47.18 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.79 40.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.11 151.32 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 52.8 Cg_endo -69.91 128.26 15.64 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.44 105.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.82 -37.29 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 15' ' ' TYR . 15.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.453 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 46.5 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -120.52 128.66 53.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 p -85.13 36.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.17 -153.43 8.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -135.36 -177.57 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 44.2 t80 -118.75 100.47 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.79 138.87 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 70.2 39.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 58.49 38.58 91.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.462 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -173.5 155.7 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 92.7 m-85 -80.66 164.82 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -107.36 -36.93 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.69 -55.13 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -103.4 -35.15 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.08 45.84 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -78.08 -179.98 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -85.55 -50.64 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -55.25 159.74 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 30.2 tttm -94.29 -37.44 11.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -51.42 148.1 9.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 15' ' ' TYR . . . -34.87 114.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.0 p -57.19 -41.12 78.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -108.46 112.02 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -81.99 40.52 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.95 170.09 40.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' O ' HD23 ' A' ' 26' ' ' LEU . 64.1 m-85 -98.23 174.16 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 49.6 t80 -111.76 101.4 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.61 148.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 62.69 41.71 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.94 38.55 60.45 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -173.98 147.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -70.63 165.59 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 19' ' ' PHE . 3.8 mm? -107.6 -34.05 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -67.42 -47.86 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.5 p -111.87 -37.83 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 67.22 45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.5 176.66 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -110.3 45.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.12 128.89 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 26.8 mmtt -68.25 -48.57 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.76 38.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.42 149.25 86.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.656 0.741 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 171.47 14.42 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.92 105.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 8.2 p -49.1 -36.4 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -109.22 123.88 49.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -85.17 32.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.86 156.25 28.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -75.78 -177.69 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 37.5 t80 -129.06 101.25 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.898 HG22 HD21 ' A' ' 26' ' ' LEU . 3.2 m -133.31 174.64 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 45.06 43.72 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.35 40.52 61.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -171.61 172.55 4.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 25.5 m-85 -93.35 170.67 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -109.26 -19.37 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.99 -40.52 10.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 p -118.36 -20.59 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 54.93 47.64 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -85.37 122.68 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -46.64 -45.96 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 18.5 m -66.87 159.38 28.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -102.56 -52.16 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.6 37.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -80.06 161.83 64.2 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.594 0.712 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.85 149.46 66.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.79 127.11 37.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.41 -45.45 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -129.02 116.55 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -83.5 42.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.91 171.51 37.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.43 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -96.13 167.05 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' HD21 ' A' ' 26' ' ' LEU . 43.7 t -134.12 143.53 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.4 41.84 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.59 41.74 82.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -172.32 141.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -65.14 162.9 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 21' ' ' VAL . 3.4 mm? -105.0 -6.55 19.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.75 -51.7 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -101.25 -16.6 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 55.04 50.78 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -95.38 167.35 11.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 m -101.95 41.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 m -148.69 137.59 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -80.96 -43.93 18.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.8 40.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 148.13 81.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.01 55.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.393 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.07 113.14 1.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 20.0 p -76.01 -32.13 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 15' ' ' TYR . 2.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.369 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.23 112.93 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -80.58 43.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.38 -149.06 5.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -143.51 175.37 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 50.6 t80 -109.6 102.33 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -128.25 143.62 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 62.71 40.15 10.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 59.15 35.95 86.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -168.02 168.72 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -86.99 173.88 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -122.86 -16.88 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 p -83.71 -44.39 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLN . 14.2 p -129.65 23.48 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' CYS . 17.1 mp0 37.08 36.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.464 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 45.1 mt-30 -86.12 136.71 33.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -105.47 46.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.78 111.33 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -56.64 -34.89 67.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.23 49.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.995 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -96.45 150.92 37.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 132.93 24.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.4 115.34 0.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 p -61.29 -39.42 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.1 p90 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -100.4 120.53 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -83.3 41.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.43 -169.3 28.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -119.67 167.32 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.401 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 33' ' ' LYS . 56.4 t80 -115.81 90.01 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.616 HG22 HD21 ' A' ' 26' ' ' LEU . 27.5 m -120.22 145.69 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 67.27 28.23 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.65 34.3 83.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -160.56 154.63 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.46 157.6 18.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.616 HD21 HG22 ' A' ' 21' ' ' VAL . 3.8 mm? -107.1 -0.27 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.96 -50.9 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.78 17.09 14.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 39.73 30.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.16 124.85 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -60.14 -38.03 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.952 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.9 t -62.52 130.83 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . 20.3 ptmt -70.43 -41.13 73.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.57 36.88 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.952 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -61.22 165.48 6.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.744 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.67 131.27 21.0 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.49 122.75 2.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.416 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -75.22 -36.57 61.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -126.0 89.7 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.809 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -54.6 -46.29 73.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 141.78 7.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -105.5 42.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -92.62 168.61 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.59 -50.48 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -151.36 150.1 26.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.55 36.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 15.0 p-80 -103.85 115.03 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.1 -30.38 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.67 80.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -118.16 144.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -119.4 172.9 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -140.79 176.44 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -112.67 110.18 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -79.49 44.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.08 -149.45 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.549 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -136.35 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 13.9 t80 -118.15 95.42 4.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -123.46 142.42 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 56.7 34.98 25.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 63.63 14.36 54.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.58 144.61 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.32 158.8 32.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.4 mm? -105.57 -21.72 13.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.3 p -80.12 -47.85 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.42 -28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 59.54 43.74 15.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -62.09 179.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -85.22 -48.6 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -93.99 165.85 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.45 42.36 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.067 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -73.79 159.61 83.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.0 Cg_endo -69.68 138.31 37.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.379 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.47 138.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.7 p -97.52 -40.02 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 m -69.27 89.2 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 41' ' ' TRP . 3.3 tt -99.92 154.23 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.68 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.8 t90 -68.7 83.77 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -148.75 163.21 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.0 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 45' ' ' SER . 24.4 p90 -70.57 -49.56 46.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.438 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 4.4 m -88.34 138.43 31.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.51 161.18 19.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.3 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 m -39.15 147.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.7 p -95.12 130.97 41.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -74.59 124.51 26.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 p -120.62 151.51 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.25 102.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 p -121.94 156.21 33.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.96 0.41 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -46.51 147.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.35 -150.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -66.63 150.77 97.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.9 29.19 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.747 2.298 . . . . 0.0 112.34 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -83.99 38.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -75.59 -47.08 28.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -56.41 -64.55 0.83 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -39.71 127.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -65.01 177.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -173.15 167.35 4.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -106.4 127.02 52.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 19.7 p -82.4 40.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.86 173.47 43.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.18 166.09 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -95.65 100.6 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -123.86 140.63 46.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.57 44.05 7.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.64 53.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -157.46 154.98 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.85 175.03 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.6 -11.02 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 17' ' ' SER . 7.5 p -90.51 -50.65 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.6 16.6 12.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 43.47 26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.74 135.48 39.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -80.86 -32.64 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.2 m -69.47 106.18 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -34.8 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.58 37.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.8 150.89 51.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.81 132.69 23.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -37.29 109.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.538 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 p -48.21 -34.56 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p -71.9 113.26 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.67 125.1 35.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -58.68 125.98 25.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -135.28 131.1 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.98 -49.31 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.2 t80 54.39 42.2 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.8 p -90.38 -43.98 9.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.37 176.06 21.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.05 49.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -123.69 -53.69 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.7 m 50.06 42.11 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.466 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -129.99 169.43 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m 50.96 42.13 27.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.69 -146.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -162.99 126.2 2.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.937 0.399 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -70.56 121.79 18.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.35 -133.31 6.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 4.0 t-20 -174.96 143.99 0.81 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.693 . . . . 0.0 110.958 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 53.7 Cg_endo -69.72 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.43 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 3.1 m-70 -51.89 157.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -97.75 -29.5 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.4 pt? -100.42 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 10' ' ' HIS . 11.4 p -124.91 128.26 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -44.13 142.77 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -148.5 171.2 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -95.46 113.56 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.7 p -81.93 41.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.9 -175.36 34.72 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -119.48 158.95 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 81.4 t80 -94.51 102.57 14.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -132.28 137.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 73.85 39.38 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 59.72 33.01 75.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -170.8 170.99 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.99 173.55 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 38.2 mt -122.4 -25.6 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -76.13 -42.84 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 p -114.55 -21.94 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 35.4 mm-40 56.99 44.74 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -82.95 178.55 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 t -98.41 -53.08 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.2 m -58.79 136.4 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -70.76 -49.31 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.06 39.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 148.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.1 54.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 0.0 112.267 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.91 92.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 p -40.04 -46.42 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -72.72 81.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.56 179.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -97.46 33.3 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.96 165.56 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.27 44.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -69.54 99.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 p -118.27 -50.85 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.73 164.65 16.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -50.68 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -134.51 57.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.0 p -103.85 -50.95 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -160.67 172.75 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -84.04 121.18 27.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.71 42.55 1.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -162.52 124.84 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -101.09 139.11 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.53 104.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.68 159.5 1.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -14.54 35.94 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.618 2.212 . . . . 0.0 112.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -69.64 138.18 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.41 -39.02 13.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -111.2 43.24 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -48.18 135.84 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 40' ' ' LEU . 58.9 mmtt -113.83 176.67 4.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CZ ' HG21 ' A' ' 39' ' ' THR . 23.8 p90 -137.58 162.85 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -107.28 132.18 53.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 p -92.18 36.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.52 176.17 39.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -103.13 -176.76 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 53.8 t80 -118.44 111.48 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 22' ' ' ASP . 60.9 t -133.87 150.12 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CG ' HG12 ' A' ' 21' ' ' VAL . 37.1 m-20 50.94 46.63 26.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 53.21 36.07 51.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -166.61 149.56 6.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.91 173.55 11.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.5 -22.57 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 p -74.73 -54.74 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 29' ' ' GLN . 7.9 p -118.05 24.57 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' CYS . 20.1 mp0 35.12 41.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.637 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 69.7 mt-30 -90.69 128.32 36.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -93.92 54.6 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -144.23 106.38 4.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -42.5 -35.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.43 41.64 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.637 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -63.22 151.36 87.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.69 123.68 10.36 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.742 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -35.36 109.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 p -60.62 -33.61 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 42.3 p -50.04 -32.2 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 37' ' ' GLY . 3.3 pp -36.33 149.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -96.52 166.6 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.26 129.72 20.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.95 141.95 28.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.169 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -93.5 146.21 23.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -112.58 105.2 13.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.89 155.2 6.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 143.58 51.7 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -99.39 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.4 m -61.67 -50.85 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.057 -0.857 . . . . 0.0 112.461 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -122.12 173.24 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -43.38 118.18 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.64 131.58 10.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -114.86 101.08 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -71.85 -54.63 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.36 -117.77 5.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -73.06 144.06 84.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.36 35.37 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.767 2.312 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -74.28 116.68 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.05 -45.07 2.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -97.08 95.85 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 13' ' ' VAL . 14.7 p -155.53 126.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -44.68 144.94 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -118.67 173.62 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' CE1' ' HA2' ' A' ' 37' ' ' GLY . 31.4 m-70 -118.84 120.94 38.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -83.04 43.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.65 -160.17 19.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.42 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -132.27 169.11 16.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 66.5 t80 -103.14 103.09 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.89 144.99 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.38 44.5 7.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 54.42 39.84 66.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -173.77 161.56 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -80.12 172.69 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 29.9 mt -123.69 -21.39 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -84.46 -35.58 22.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.19 -21.98 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 43.3 mm-40 62.97 40.27 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.13 143.3 41.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.7 p -68.75 -52.98 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 88.6 m -59.53 153.49 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 17.5 ttmt -88.85 -58.3 2.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.58 42.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.1 152.16 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.489 0.661 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.78 129.15 17.09 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.24 . . . . 0.0 112.343 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 16' ' ' HIS . . . -35.59 127.56 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.526 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 p -62.59 -45.73 91.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.5 p -71.6 121.11 18.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.824 HD23 ' N ' ' A' ' 41' ' ' TRP . 6.9 tt -111.13 152.64 26.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.824 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -36.42 -70.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' TRP . 73.8 mm-40 -35.52 130.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.71 -178.21 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -150.91 167.51 27.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -59.2 -55.14 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.83 83.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 123.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -40.19 132.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -109.89 157.76 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -93.64 109.66 21.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 p -137.9 145.95 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.88 80.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -128.31 148.34 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -156.77 144.37 19.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.71 91.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -109.74 80.17 1.59 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 53.8 Cg_endo -69.69 1.22 4.59 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.384 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' PRO . 42.8 p-80 45.0 41.93 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.38 -28.06 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' VAL . 20.4 tp -107.24 -57.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' LEU . 89.9 t -34.06 127.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -63.15 126.54 27.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -110.26 168.73 9.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -102.73 117.73 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -88.86 42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.02 -172.75 25.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -116.59 174.76 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 33' ' ' LYS . 44.7 t80 -113.6 106.37 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.63 142.67 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.07 46.72 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.71 36.2 58.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -165.92 168.34 15.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -89.15 178.97 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 8.1 mp -118.94 -25.38 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 p -82.42 -42.24 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.2 p -116.3 -28.59 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 63.29 45.9 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.7 178.06 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -91.31 -54.42 3.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -74.9 164.56 26.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 20' ' ' PHE . 26.0 mtpt -92.36 -47.0 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.62 40.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -76.41 155.49 83.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.3 Cg_endo -69.75 132.26 22.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.65 132.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 30.5 p -82.89 -34.79 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.0 m -69.29 118.81 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -130.25 -4.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -82.57 39.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.98 151.59 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.2 120.1 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -108.54 39.01 2.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -99.19 -56.64 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.93 146.35 14.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -1.45 8.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m -83.17 101.69 11.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.3 m -122.77 175.45 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.449 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -113.37 96.26 5.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -79.8 99.88 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.38 -139.24 10.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -75.74 163.15 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -118.68 42.41 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.26 -159.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.492 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -92.14 144.02 28.46 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 86.63 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -93.35 93.47 8.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -90.36 -39.64 12.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -106.85 95.24 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.62 147.99 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' C ' ' HA3' ' A' ' 37' ' ' GLY . 47.6 mttt -84.04 90.6 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.3 p90 -109.64 179.24 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -108.54 115.37 29.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.4 p -80.8 45.02 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.19 -154.44 6.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' O ' HD13 ' A' ' 26' ' ' LEU . 37.4 m-85 -139.21 173.78 11.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 38.1 t80 -108.71 97.34 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' A' ' 26' ' ' LEU . 74.7 t -125.7 134.68 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.95 41.2 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.3 38.58 79.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -167.53 152.79 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -74.89 172.21 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD11 ' HB ' ' A' ' 21' ' ' VAL . 9.6 mp -115.26 -27.56 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -72.5 -49.88 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.8 p -124.1 22.78 8.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.8 mp0 34.47 38.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' NE2' ' HB1' ' A' ' 35' ' ' ALA . 8.7 mt-30 -86.45 102.23 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 m -42.95 -38.04 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.44 141.94 57.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -86.84 -48.58 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.0 39.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -79.49 162.93 61.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.4 Cg_endo -69.74 143.3 50.51 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' C ' ' A' ' 14' ' ' LYS . . . -54.75 101.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' O ' HD23 ' A' ' 40' ' ' LEU . 26.3 p -55.38 -22.05 18.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.59 HG21 ' CE1' ' A' ' 15' ' ' TYR . 67.5 p -61.74 -27.36 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' THR . 1.4 pt? -35.01 144.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.499 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 1.3 p90 -44.78 144.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 43' ' ' ALA . 39.6 mt-10 -139.33 164.15 30.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -35.36 101.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.82 -64.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -172.17 179.22 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.37 163.39 31.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 84.93 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -125.25 158.03 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.1 t -108.31 106.37 16.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.492 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 p -142.16 158.82 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -169.01 176.52 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.08 147.66 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -147.12 173.1 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -57.81 -61.96 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -178.38 15.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.551 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -114.35 76.54 3.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.517 0.675 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 1.68 4.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.626 2.217 . . . . 0.0 112.404 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -62.21 90.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -44.17 -43.49 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.5 pt? -122.79 132.96 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -149.57 150.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -101.3 171.19 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.49 176.84 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -92.2 117.27 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 m -81.68 42.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.67 -165.98 23.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -118.36 155.81 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 33' ' ' LYS . 35.4 t80 -108.42 104.55 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.1 166.61 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 t70 49.45 41.38 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 39.7 82.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -168.05 177.94 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -102.5 173.78 6.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 34.4 mt -124.36 -30.37 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.43 -39.39 74.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.1 p -122.23 -22.89 5.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 59.09 43.47 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.43 170.4 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 p -103.58 41.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.3 t -138.86 173.3 11.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 4.2 tppp? -103.95 -49.64 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.78 41.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -66.1 165.91 19.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.543 0.687 . . . . 0.0 111.069 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 156.65 63.03 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.364 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' THR . . . -61.67 95.37 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 18.9 p -34.46 -35.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' GLY . 28.0 m -73.33 73.25 1.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 41' ' ' TRP . 15.7 tp -102.16 154.58 18.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 12.2 m95 -94.78 47.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.6 pt-20 -71.05 141.98 50.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.18 44.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.2 t80 66.66 42.94 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -113.9 41.93 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.803 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.57 155.68 26.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -174.94 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -97.65 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.1 p -159.99 173.86 15.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.453 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -119.28 -47.43 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m 57.24 42.45 25.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.59 177.54 46.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -160.98 163.19 31.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -43.43 145.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.65 85.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.07 151.82 38.49 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.712 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.33 47.5 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -71.66 91.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.7 tp -85.02 -48.73 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.53 93.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.51 142.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.96 167.65 10.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.407 ' CZ ' HG21 ' A' ' 39' ' ' THR . 30.1 p90 -136.89 164.44 28.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.21 114.95 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -85.37 42.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.13 175.55 30.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 26' ' ' LEU . 43.0 m-85 -90.21 178.01 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -138.45 111.46 7.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.859 HG22 HD11 ' A' ' 26' ' ' LEU . 4.5 m -141.83 151.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.74 36.57 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.01 47.92 88.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -174.64 159.58 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -88.91 161.65 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.859 HD11 HG22 ' A' ' 21' ' ' VAL . 10.4 mp -105.41 0.6 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -98.13 -45.55 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.29 21.07 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 5.7 mm100 40.41 38.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.43 155.74 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -116.76 45.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.34 154.48 33.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -83.95 -44.8 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.45 37.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 150.43 95.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.83 26.57 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.643 2.228 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.63 112.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.59 -18.45 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 86.2 m -70.34 111.31 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -134.73 129.08 34.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.0 m95 46.65 50.67 12.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.73 139.19 48.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.42 148.41 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -121.72 108.57 13.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -147.39 109.48 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.32 83.39 0.14 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.5 7.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.753 2.302 . . . . 0.0 112.304 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -148.17 159.75 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.3 p -173.33 171.75 3.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.481 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -141.45 169.65 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -42.96 112.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 -91.77 1.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -62.5 145.17 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 m -147.78 144.35 28.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.46 68.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 12.4 p-10 -134.94 80.61 48.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -131.65 166.93 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 tp -167.19 141.57 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.41 46.68 26.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.51 144.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -43.78 129.88 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.741 ' O ' HG22 ' A' ' 39' ' ' THR . 2.7 p90 -129.79 176.55 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -91.91 117.64 29.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -85.01 46.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.68 44.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -87.67 176.71 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 47.3 t80 -133.96 104.89 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.32 164.23 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t0 48.5 43.43 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 52.87 43.0 60.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -167.17 150.3 6.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 62.0 m-85 -82.99 164.34 20.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 5.7 mp -113.49 -10.26 13.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 p -90.68 -37.55 13.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.82 -21.0 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 38.0 mm-40 58.94 40.06 22.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -77.81 175.55 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -112.14 53.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.702 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.1 t -156.89 155.34 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -83.68 -50.3 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.5 35.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -52.99 155.46 4.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 54.5 Cg_endo -69.66 138.31 37.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.33 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -36.75 131.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.45 -43.29 14.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 15' ' ' TYR . 12.2 t -55.26 134.04 49.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 41' ' ' TRP . 0.4 OUTLIER -108.48 136.34 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.684 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -34.36 117.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -149.48 174.37 12.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.98 -61.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -172.62 176.2 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.7 p 43.74 42.62 4.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 -81.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.58 37.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -88.63 166.73 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -91.78 100.35 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.507 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -92.81 160.61 14.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -98.92 -60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.93 -149.36 37.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 p -79.82 165.55 22.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -112.88 133.79 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.1 -76.02 1.15 Allowed Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 10.7 t30 66.42 54.48 0.89 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 8' ' ' ASN . 53.8 Cg_endo -69.79 1.6 4.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -63.83 131.45 47.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.14 -53.67 55.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.34 113.85 27.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -129.35 143.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 168.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -136.53 172.21 13.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -99.36 124.24 44.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' C ' ' HB3' ' A' ' 27' ' ' CYS . 8.5 t -83.42 42.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.31 -178.93 42.84 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.414 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.74 158.33 22.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -90.09 107.19 18.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.57 149.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 57.99 39.89 26.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.38 37.82 83.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -174.66 147.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.86 177.56 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.8 -28.83 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.417 ' HB3' ' C ' ' A' ' 17' ' ' SER . 2.1 p -69.78 -43.54 71.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLN . 4.5 p -125.99 22.13 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' CYS . 91.2 mm-40 35.9 38.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -86.66 117.33 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -88.62 43.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' LYS . 10.3 m -134.06 93.71 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' CYS . 59.4 tttm -35.38 -48.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.7 66.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -103.73 154.95 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.3 Cg_endo -69.82 157.33 60.63 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.758 2.306 . . . . 0.0 112.332 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.41 126.2 40.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.1 p -83.82 -44.31 14.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.539 HG23 ' HE1' ' A' ' 41' ' ' TRP . 21.2 m -67.24 84.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 40' ' ' LEU . 3.1 pp -123.47 -4.97 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.539 ' HE1' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -72.47 80.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -117.72 41.86 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 42.28 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.61 -46.28 8.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.7 p -103.41 90.26 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.2 77.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.427 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.95 7.42 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.679 2.252 . . . . 0.0 112.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 m -126.58 106.93 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -166.39 105.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.446 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -111.73 -60.67 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.817 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -130.29 154.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.14 -49.92 0.26 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -65.27 -50.27 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -57.24 165.01 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.27 127.26 3.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -145.75 152.54 48.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.694 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -177.53 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.788 2.325 . . . . 0.0 112.353 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -59.71 94.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.48 -60.93 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -109.49 82.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.2 m -54.73 135.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -54.06 161.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CZ ' HG21 ' A' ' 39' ' ' THR . 42.0 p90 -145.77 172.91 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -112.64 125.14 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -79.96 44.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.62 -179.41 41.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -111.1 159.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 58.0 t80 -98.04 103.3 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.8 t -127.42 152.04 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.08 42.59 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 56.76 33.41 63.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -166.77 172.99 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -90.8 173.75 7.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 29' ' ' GLN . 27.9 mt -124.02 -25.51 4.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -76.9 -39.81 49.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.9 p -119.24 -26.21 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 26' ' ' LEU . 32.0 mm-40 60.56 43.78 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -88.04 140.44 29.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 m -82.69 72.16 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.63 128.64 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -59.93 -41.0 90.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.43 32.92 4.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.47 153.51 0.58 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.78 122.31 8.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.8 112.65 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.433 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 29.5 p -69.82 -34.15 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.541 HG21 ' CZ ' ' A' ' 15' ' ' TYR . 63.3 m -49.35 -32.56 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 41' ' ' TRP . 1.9 tt -34.84 130.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.594 ' N ' HD23 ' A' ' 40' ' ' LEU . 39.2 m95 -38.16 -64.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -83.52 127.67 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.2 84.85 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 2.3 p90 -42.56 117.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 t -88.05 174.02 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.11 67.68 1.57 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 163.97 36.35 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.749 2.299 . . . . 0.0 112.293 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -143.32 140.87 30.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.2 p -58.4 90.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.49 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -133.56 171.24 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -135.15 166.8 22.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.99 95.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -113.06 115.05 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -123.84 127.65 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.77 -88.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -124.92 145.2 49.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.56 28.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.0 154.2 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.3 tp -87.95 -50.99 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.42 71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 13' ' ' VAL . 38.9 t -132.61 45.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -65.19 179.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -140.93 158.7 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -90.38 125.37 35.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -82.29 41.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.21 -176.97 36.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.61 162.24 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -91.66 97.46 11.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.74 144.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 59.56 45.3 13.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . 53.41 37.59 55.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 15.6 mtmm -168.89 168.57 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -87.1 172.04 10.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.83 -15.37 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 p -83.65 -44.61 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' GLN . 3.3 p -128.32 19.55 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' CYS . 21.5 mp0 34.92 45.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.732 ' NE2' ' HB1' ' A' ' 35' ' ' ALA . 12.5 mt-30 -96.7 127.38 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -69.19 -36.95 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.8 t -48.67 156.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -94.77 -42.46 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.13 27.78 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.732 ' HB1' ' NE2' ' A' ' 30' ' ' GLN . . . -44.64 152.61 0.52 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.053 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.2 Cg_endo -69.76 129.64 17.95 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.658 2.239 . . . . 0.0 112.415 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -35.49 107.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.2 p -65.68 -36.93 85.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 118.11 15.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -111.81 162.88 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -91.68 100.92 13.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -150.99 126.22 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.94 -60.7 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.24 116.26 10.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 m -119.49 -47.34 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.94 67.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -47.9 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -93.88 106.81 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.5 t -77.36 89.04 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.468 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m -70.91 -52.67 18.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.762 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -81.9 149.22 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.68 120.38 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -120.34 151.08 39.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.794 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -116.83 124.41 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.74 73.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.426 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -153.86 150.32 22.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -3.17 11.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -132.79 131.94 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.803 HD23 ' H ' ' A' ' 11' ' ' LEU . 2.2 pt? -116.22 -43.36 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 14.0 tp -134.0 103.98 6.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -142.23 107.67 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -129.5 168.49 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.751 ' O ' HG22 ' A' ' 39' ' ' THR . 0.4 OUTLIER -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -105.17 114.08 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.6 t -79.38 45.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.44 148.68 14.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' C ' HD13 ' A' ' 26' ' ' LEU . 61.5 m-85 -73.62 178.6 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 70.3 t80 -131.16 98.75 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 26' ' ' LEU . 6.3 m -118.21 153.23 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 49.4 47.9 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 52.09 29.07 27.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.554 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -142.03 153.33 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -89.92 163.49 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 19' ' ' PHE . 8.4 mp -108.61 -16.05 14.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -89.12 -48.5 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLN . 16.7 p -131.34 15.66 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 28' ' ' CYS . 22.1 mp0 34.41 37.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' CYS . 9.5 mt-30 -80.55 100.53 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -40.32 -39.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.9 m -64.82 122.22 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -67.37 -47.18 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.79 40.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.11 151.32 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 52.8 Cg_endo -69.91 128.26 15.64 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -34.44 105.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 p -57.82 -37.29 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 15' ' ' TYR . 15.2 t -72.54 164.73 25.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 41' ' ' TRP . 2.4 tt -163.28 131.15 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.511 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.6 t90 -46.02 -59.45 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -88.69 111.95 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -124.38 143.8 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -84.35 42.71 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 t -53.83 108.75 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.46 -91.65 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.43 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 85.93 0.6 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.77 2.313 . . . . 0.0 112.305 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.5 p -111.65 156.23 22.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.759 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' GLY . 18.9 m -83.48 162.09 21.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -152.66 171.48 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -120.27 104.7 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.52 124.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -87.65 42.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m 39.01 42.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.1 -142.74 14.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.18 151.97 35.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -30.97 21.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.728 2.286 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.27 174.73 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 tp -165.49 138.24 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.98 43.04 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 13' ' ' VAL . 24.4 t -128.86 45.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' CD ' ' HB2' ' A' ' 40' ' ' LEU . 25.8 mtmm -116.49 174.91 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.453 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 46.5 p90 -128.47 177.71 6.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -120.52 128.66 53.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 p -85.13 36.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.17 -153.43 8.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -135.36 -177.57 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CZ ' ' HA2' ' A' ' 23' ' ' GLY . 44.2 t80 -118.75 100.47 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.79 138.87 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 70.2 39.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' HA2' ' CZ ' ' A' ' 20' ' ' PHE . . . 58.49 38.58 91.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.462 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -173.5 155.7 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 92.7 m-85 -80.66 164.82 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -107.36 -36.93 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.2 p -65.69 -55.13 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -103.4 -35.15 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.08 45.84 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -78.08 -179.98 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -85.55 -50.64 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 2.0 t -55.25 159.74 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 20' ' ' PHE . 30.2 tttm -94.29 -37.44 11.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -51.42 148.1 9.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 111.09 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 15' ' ' TYR . . . -34.87 114.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.0 p -57.19 -41.12 78.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.7 p -59.96 101.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.173 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.451 HD12 ' H ' ' A' ' 41' ' ' TRP . 12.9 tp -133.64 145.46 49.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' H ' HD12 ' A' ' 40' ' ' LEU . 4.9 m0 -47.99 -56.8 6.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' TRP . 4.9 mm-40 -34.65 114.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.96 168.53 26.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -88.84 163.21 15.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.5 p -97.59 95.2 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.9 -158.15 34.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -70.87 -51.66 24.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -67.13 119.9 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.472 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -119.33 156.3 30.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.92 -41.05 0.32 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -46.05 119.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -125.66 152.81 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 167.28 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -115.11 81.15 7.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -112.1 41.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.38 -55.82 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -118.31 106.22 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' LYS . 8.6 p -156.23 160.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HG3' ' CB ' ' A' ' 40' ' ' LEU . 12.1 mtmt -52.14 120.83 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.09 175.9 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -108.46 112.02 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -81.99 40.52 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.95 170.09 40.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' O ' HD23 ' A' ' 26' ' ' LEU . 64.1 m-85 -98.23 174.16 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 33' ' ' LYS . 49.6 t80 -111.76 101.4 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.61 148.84 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 62.69 41.71 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.94 38.55 60.45 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -173.98 147.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -70.63 165.59 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 19' ' ' PHE . 3.8 mm? -107.6 -34.05 7.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 p -67.42 -47.86 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.5 p -111.87 -37.83 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 67.22 45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.5 176.66 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -110.3 45.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.12 128.89 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 20' ' ' PHE . 26.8 mmtt -68.25 -48.57 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.76 38.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.42 149.25 86.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.656 0.741 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 171.47 14.42 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.92 105.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 8.2 p -49.1 -36.4 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -97.81 154.0 17.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 2.0 pt? -156.78 174.71 15.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.444 ' CD1' ' C ' ' A' ' 41' ' ' TRP . 1.4 p90 -42.23 143.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -139.95 116.15 10.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.78 -54.48 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -124.99 124.72 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -90.91 135.97 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.41 143.67 8.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 90.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -93.63 145.23 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -152.65 117.26 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.512 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 p -62.79 155.07 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.82 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -55.02 101.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.6 124.08 0.69 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -75.17 103.28 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -93.25 91.41 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.98 -139.18 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -112.32 80.51 3.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.927 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -76.32 145.66 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.101 HD21 HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -149.89 133.22 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.101 HD12 HD21 ' A' ' 11' ' ' LEU . 14.2 mt 62.02 49.19 4.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 m -104.01 145.42 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -76.13 156.37 33.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -147.88 177.16 9.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -109.22 123.88 49.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -85.17 32.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.86 156.25 28.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -75.78 -177.69 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 37.5 t80 -129.06 101.25 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.898 HG22 HD21 ' A' ' 26' ' ' LEU . 3.2 m -133.31 174.64 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 45.06 43.72 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.35 40.52 61.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -171.61 172.55 4.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 20' ' ' PHE . 25.5 m-85 -93.35 170.67 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -109.26 -19.37 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.99 -40.52 10.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 p -118.36 -20.59 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 54.93 47.64 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -85.37 122.68 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -46.64 -45.96 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . 18.5 m -66.87 159.38 28.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -102.56 -52.16 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.6 37.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -80.06 161.83 64.2 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.594 0.712 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.85 149.46 66.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.79 127.11 37.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.41 -45.45 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.3 m -58.35 94.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -163.48 155.04 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -115.39 158.75 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -134.12 174.23 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.98 41.79 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -104.13 130.09 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.3 m -102.13 42.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.85 79.64 1.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.459 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.06 2.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.6 t -87.9 158.41 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -45.83 123.24 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.462 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -166.38 117.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t -129.45 99.71 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -116.42 153.88 31.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 m -93.93 -55.13 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.62 120.2 4.43 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -77.03 144.84 72.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.02 24.55 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.258 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -73.08 131.73 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.663 HD21 HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -157.46 138.68 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD12 HD21 ' A' ' 11' ' ' LEU . 19.2 mt 48.31 43.59 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 36' ' ' PRO . 6.1 m -106.77 137.54 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.705 ' HD3' HD23 ' A' ' 40' ' ' LEU . 7.6 mtmt -130.94 -73.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -174.85 175.53 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -129.02 116.55 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -83.5 42.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.91 171.51 37.86 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.43 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -96.13 167.05 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' HD21 ' A' ' 26' ' ' LEU . 43.7 t -134.12 143.53 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.4 41.84 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.59 41.74 82.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -172.32 141.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -65.14 162.9 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 21' ' ' VAL . 3.4 mm? -105.0 -6.55 19.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 p -92.75 -51.7 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.6 p -101.25 -16.6 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 55.04 50.78 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -95.38 167.35 11.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 m -101.95 41.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 m -148.69 137.59 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -80.96 -43.93 18.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.8 40.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 148.13 81.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HA ' HG12 ' A' ' 13' ' ' VAL . 53.8 Cg_endo -69.73 159.01 55.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.227 . . . . 0.0 112.393 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.07 113.14 1.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' CYS . 20.0 p -76.01 -32.13 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 15' ' ' TYR . 2.5 m -95.65 143.05 27.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 ' HD3' ' A' ' 14' ' ' LYS . 13.5 mt -99.56 156.81 16.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CH2' ' HB3' ' A' ' 14' ' ' LYS . 18.3 m95 -46.89 -48.27 21.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 42' ' ' GLU . 1.7 pp20? -80.91 42.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.72 124.87 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -83.49 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -46.63 100.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.82 -158.64 8.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' SER . 53.3 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' PRO . 95.1 p -34.87 130.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.1 p -111.06 -45.84 3.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t 39.88 41.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -59.05 -54.37 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.9 157.44 33.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -60.53 -44.61 95.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 p -76.33 103.88 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.32 -120.82 3.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -101.89 144.01 27.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.2 m170 43.97 44.86 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.68 -48.19 6.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.73 45.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' LYS . 65.4 t -133.47 130.75 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' VAL . 9.8 mtmp? -34.55 119.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -144.96 -179.95 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.23 112.93 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 t -80.58 43.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.38 -149.06 5.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -143.51 175.37 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' ' HA2' ' A' ' 23' ' ' GLY . 50.6 t80 -109.6 102.33 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -128.25 143.62 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t70 62.71 40.15 10.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 20' ' ' PHE . . . 59.15 35.95 86.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -168.02 168.72 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -86.99 173.88 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -122.86 -16.88 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 p -83.71 -44.39 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLN . 14.2 p -129.65 23.48 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' CYS . 17.1 mp0 37.08 36.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.464 ' OE1' ' HB1' ' A' ' 35' ' ' ALA . 45.1 mt-30 -86.12 136.71 33.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -105.47 46.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.78 111.33 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -56.64 -34.89 67.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.23 49.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.995 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB1' ' OE1' ' A' ' 30' ' ' GLN . . . -96.45 150.92 37.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 132.93 24.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.4 115.34 0.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 p -61.29 -39.42 90.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -72.03 91.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -118.23 -13.9 9.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.53 46.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -84.95 35.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.78 47.43 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 6.2 t80 -85.41 85.89 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 m -67.26 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.91 149.13 5.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' SER . 52.8 Cg_endo -69.83 -1.67 8.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' PRO . 16.4 m -34.7 123.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.861 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.3 m -46.03 157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.407 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -56.05 -60.05 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -132.2 142.84 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.73 -133.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -170.33 136.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -50.05 111.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.54 -56.53 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.82 141.07 67.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 168.81 20.56 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.763 2.309 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -43.2 131.7 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -158.49 139.5 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD12 ' HG ' ' A' ' 11' ' ' LEU . 2.9 mp 46.26 44.52 12.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -87.02 134.12 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -54.31 120.07 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -127.48 171.32 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -100.4 120.53 40.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 t -83.3 41.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.43 -169.3 28.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -119.67 167.32 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.401 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 33' ' ' LYS . 56.4 t80 -115.81 90.01 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.616 HG22 HD21 ' A' ' 26' ' ' LEU . 27.5 m -120.22 145.69 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 67.27 28.23 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.65 34.3 83.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -160.56 154.63 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.46 157.6 18.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.616 HD21 HG22 ' A' ' 21' ' ' VAL . 3.8 mm? -107.1 -0.27 22.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 p -103.96 -50.9 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.78 17.09 14.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 39.73 30.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.16 124.85 28.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -60.14 -38.03 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.952 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 1.9 t -62.52 130.83 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 20' ' ' PHE . 20.3 ptmt -70.43 -41.13 73.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.57 36.88 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.952 ' HB2' ' HB3' ' A' ' 32' ' ' CYS . . . -61.22 165.48 6.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.744 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 53.6 Cg_endo -69.67 131.27 21.0 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.49 122.75 2.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.416 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -75.22 -36.57 61.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 42' ' ' GLU . 7.2 m -71.71 90.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 40' ' ' LEU . 3.2 pp -132.78 159.82 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' HD1' HD13 ' A' ' 40' ' ' LEU . 90.1 m95 33.32 52.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' A' ' 39' ' ' THR . 1.2 pp20? -113.99 38.28 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.93 -48.39 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -48.42 119.63 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.1 p -72.98 179.49 3.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 146.88 48.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -32.98 17.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 p -122.92 164.37 18.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t 51.0 41.7 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.502 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_