data_1dl6_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 1dl6 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.984 0.421 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 20.3 t -84.09 132.32 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.665 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.83 -37.27 95.96 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.48 2.12 . . . . 0.0 112.542 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 73.3 m-20 -102.11 11.36 38.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.665 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.1 m80 -153.09 89.15 3.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.99 -46.32 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.195 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.23 -38.32 90.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.49 122.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mt -104.6 134.76 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.314 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 112.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.744 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.9 pp . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 120.819 0.342 . . . . 0.0 111.737 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -100.44 136.51 19.96 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.66 1.82 7.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 0.0 113.121 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 60.6 mm-40 -115.09 -77.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.029 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 19.6 p -68.39 -13.33 62.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.899 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 54.1 39.75 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.115 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -97.68 178.75 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.531 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -179.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.824 0.345 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.6 t -59.77 134.32 89.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.756 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.14 -20.76 49.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.444 2.096 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -114.79 -13.24 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.535 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.622 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.3 m80 -124.61 87.41 54.58 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.36 -41.56 20.39 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.604 2.203 . . . . 0.0 111.903 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -92.26 40.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.08 63.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 pt -57.08 132.56 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.614 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -62.6 114.24 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.636 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.558 0.218 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 42.4 t -89.37 115.37 63.57 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.545 0.212 . . . . 0.0 110.765 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.63 -19.16 36.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.394 2.063 . . . . 0.0 112.613 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -79.54 -83.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.036 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 8.0 p -67.39 -40.18 85.64 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.693 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 63.42 1.37 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.45 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -123.64 162.69 22.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.883 0.373 . . . . 0.0 111.517 -179.691 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.1 t -89.56 136.18 29.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.52 -26.38 62.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.432 2.088 . . . . 0.0 112.61 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -111.04 -9.54 14.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 33.0 m80 -127.61 83.48 65.95 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.2 -27.78 41.02 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.497 2.131 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -99.56 31.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.92 80.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tt -66.79 130.57 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -61.55 113.04 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.823 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.727 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.587 0.232 . . . . 0.0 111.184 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 48.4 t -93.78 117.83 67.3 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.581 0.229 . . . . 0.0 111.089 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.63 -19.76 25.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.353 2.036 . . . . 0.0 112.691 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 10.9 mm-40 -87.99 -83.3 0.21 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.566 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 24.6 p -69.61 -13.44 62.32 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.593 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 60.09 56.64 23.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.92 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.22 177.75 4.76 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.88 0.371 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.6 t -94.49 136.7 23.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.747 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.13 -33.45 61.22 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.488 2.126 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.64 -5.31 23.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.7 m80 -136.96 71.39 56.15 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.31 -57.94 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.438 2.092 . . . . 0.0 112.035 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.59 -40.08 90.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.6 88.06 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -78.72 137.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.05 -178.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.745 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 32.9 mm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 45.0 t -91.18 130.93 38.27 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.59 0.233 . . . . 0.0 110.528 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.34 2.39 7.76 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.339 2.026 . . . . 0.0 113.044 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 8.1 mm-40 -108.9 -58.45 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.582 0.23 . . . . 0.0 111.016 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.18 -16.56 20.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.488 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.71 53.56 23.32 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.668 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -105.33 168.7 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.331 -179.86 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.924 0.392 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.2 t -86.61 135.9 35.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.78 -30.9 33.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.378 2.052 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.97 -6.11 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 34.8 m80 -134.57 75.94 62.21 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 -24.51 30.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.506 2.137 . . . . 0.0 112.414 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -72.96 -33.23 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mt -128.21 141.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -63.11 107.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.615 0.245 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 42.3 t -99.08 107.46 44.29 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.7 -23.19 14.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.378 2.052 . . . . 0.0 112.532 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 6.3 mm-40 -75.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.1 p -75.54 -38.59 59.22 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 92.75 49.15 2.78 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.834 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 pp -100.43 -178.3 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.797 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 52.1 t -82.39 135.91 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.96 -29.68 57.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.399 2.066 . . . . 0.0 112.392 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.79 -8.26 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.514 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.4 m80 -131.31 77.56 73.91 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.662 0.268 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.67 -32.27 30.87 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.455 2.103 . . . . 0.0 112.205 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.41 -30.59 66.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.7 179.87 5.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tt -147.37 124.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -66.95 105.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 30.2 mm . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.548 0.213 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 49.7 t -95.91 122.7 57.8 Favored Pre-proline 0 C--N 1.333 -0.15 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.0 -10.34 25.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.189 1.926 . . . . 0.0 112.933 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mm-40 -96.05 -77.39 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.285 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 20.3 p -73.5 -19.02 61.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.4 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.25 52.16 33.47 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.587 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -101.49 174.96 5.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.548 0.213 . . . . 0.0 110.468 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.306 -179.747 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.857 0.361 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.8 t -96.55 139.66 21.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.64 -36.66 91.63 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.719 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -105.92 -4.69 20.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.869 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.9 m80 -132.21 79.19 66.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.75 -28.15 37.21 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.81 -69.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 119.06 19.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.3 149.66 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.234 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.32 133.91 56.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.7 pp . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.541 0.21 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 27.7 t -94.67 134.63 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.28 -3.26 13.53 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.372 2.048 . . . . 0.0 112.699 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 16.0 mm-40 -110.24 -78.0 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -68.68 -21.62 64.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 73.09 55.34 6.36 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.056 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 pp -93.23 -179.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 29.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.314 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.8 t -97.34 137.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 25.4 Cg_exo -62.58 -27.31 76.39 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.552 2.168 . . . . 0.0 112.527 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.01 -10.77 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.673 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.6 m80 -127.26 73.6 77.32 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -56.75 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.624 2.216 . . . . 0.0 112.18 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.14 -41.43 96.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' CB ' ' CG ' ' A' ' 36' ' ' GLU . . . -87.51 76.5 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.37 142.47 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -47.93 169.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.654 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.616 0.246 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 39.5 t -90.28 119.73 69.18 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.49 -13.83 31.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.572 2.182 . . . . 0.0 113.149 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 62.3 mm-40 -92.0 -81.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.269 -0.172 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 p -66.07 -27.86 68.4 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.721 0.295 . . . . 0.0 111.001 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.89 47.96 8.15 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.941 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -94.0 172.43 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.2 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.329 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 19.2 t -76.98 127.2 84.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.68 -25.76 69.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.416 2.077 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.98 -20.63 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.309 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 37.3 m80 -121.19 73.71 27.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.02 -38.47 16.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.591 2.194 . . . . 0.0 112.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.9 -31.8 70.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.716 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.78 131.97 46.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.58 135.15 42.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.54 112.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.699 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.659 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.59 0.233 . . . . 0.0 111.171 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' HD21 ' A' ' 39' ' ' LEU . 16.2 t -87.85 113.09 53.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.387 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.69 -21.75 40.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -70.39 -71.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.672 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -87.64 -45.46 10.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 110.804 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.56 53.31 0.99 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.401 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.659 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.84 167.9 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.009 0.433 . . . . 0.0 111.948 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.863 0.363 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.6 t -101.34 136.72 19.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.69 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -33.4 63.18 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.407 2.072 . . . . 0.0 112.495 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -103.03 -4.9 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.9 m80 -137.75 73.26 47.66 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.752 0.311 . . . . 0.0 110.742 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.47 -23.6 43.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.277 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.32 -39.14 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 149.67 21.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.67 136.11 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.069 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 100.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.56 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.599 0.238 . . . . 0.0 111.086 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 45.3 t -96.91 108.87 46.06 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.748 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.17 -23.98 14.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.583 2.188 . . . . 0.0 112.951 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 20.2 mm-40 -74.09 -80.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.2 p -72.66 -41.91 64.91 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.589 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.84 51.68 1.91 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.158 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -101.59 172.42 6.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 111.299 -179.714 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.909 0.385 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.0 t -107.32 140.12 21.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.0 -41.46 76.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.578 2.185 . . . . 0.0 112.793 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -102.4 -3.68 26.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.882 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.5 m80 -131.78 86.06 49.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.673 0.273 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.82 -26.58 59.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.557 2.171 . . . . 0.0 112.12 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -41.51 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.705 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.67 171.38 4.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 108.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.309 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 98.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.517 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.18 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.688 0.28 . . . . 0.0 111.207 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.9 t -96.22 118.53 65.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.17 -12.17 25.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.929 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 18' ' ' HIS . 6.8 tp10 -89.99 -75.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.43 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 p -74.64 -24.13 58.78 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.66 45.38 17.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.114 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -93.8 170.19 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.643 0.258 . . . . 0.0 110.467 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.0 t -74.34 136.0 75.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.689 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.51 -29.04 53.27 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.491 2.127 . . . . 0.0 112.541 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.78 -7.52 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.544 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 31.8 m80 -130.04 86.52 54.24 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.712 0.291 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -20.05 33.77 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.546 2.164 . . . . 0.0 112.245 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.31 24.99 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.35 153.47 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.87 128.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.234 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -57.31 102.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.33 -179.717 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.678 0.275 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 21.7 t -99.94 105.43 34.9 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.502 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.05 -24.84 8.13 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.507 2.138 . . . . 0.0 112.61 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -68.38 -77.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 6.8 p -77.74 -43.04 32.13 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.97 0.414 . . . . 0.0 110.346 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 52.41 1.43 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -106.76 166.96 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.524 -179.56 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.5 t -71.51 135.77 83.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.804 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.62 -25.92 61.75 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.442 2.095 . . . . 0.0 112.452 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.85 -13.7 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 27.3 m80 -121.71 83.8 42.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.39 -28.97 54.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.403 2.068 . . . . 0.0 111.935 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -79.06 -45.41 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.89 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -139.91 122.97 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 10.7 mp -57.9 119.63 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.578 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.101 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.8 pp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.593 0.235 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.2 t -97.52 127.79 36.7 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.85 58.23 5.97 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.097 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.498 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 25.8 tp10 -167.33 -70.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.319 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -82.47 -25.37 33.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.897 0.379 . . . . 0.0 110.025 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.44 53.89 4.91 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.651 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -100.0 169.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.603 -179.415 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.6 t -75.84 134.86 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.99 -23.4 46.76 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.356 2.037 . . . . 0.0 112.432 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -110.41 -20.13 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 35.9 m80 -117.44 72.58 7.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.19 -29.5 47.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.47 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.41 111.29 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 tt -80.71 139.04 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.1 106.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 39' ' ' LEU . 41.5 mm . . . . . 0 C--O 1.227 -0.089 0 CA-C-O 120.594 0.235 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 34.3 t -96.33 109.63 48.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.59 -21.72 15.12 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 3.1 mm-40 -81.35 -82.93 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.295 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 15.6 p -69.67 -30.59 68.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 82.15 49.41 5.29 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.609 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.488 ' O ' HD11 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -94.88 175.49 6.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 0.0 111.48 -179.696 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.6 t -60.23 134.93 90.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.03 -25.43 51.55 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.494 2.13 . . . . 0.0 112.497 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -9.26 14.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.2 m80 -129.21 80.37 72.58 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.758 0.313 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.97 -43.67 6.33 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.6 2.2 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' CB ' ' CG ' ' A' ' 36' ' ' GLU . . . -94.21 84.32 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.2 142.68 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.186 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 15' ' ' CYS . 6.8 mp -54.41 152.42 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.852 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.626 0.251 . . . . 0.0 111.447 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 42.3 t -90.03 118.12 68.63 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.627 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.56 -17.04 26.36 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 113.289 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -90.0 -81.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.434 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 21.1 p -67.77 -25.56 65.68 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.206 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.43 48.38 8.16 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.77 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -89.01 174.58 7.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.538 0.208 . . . . 0.0 110.564 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.139 -179.789 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.5 t -57.36 135.54 81.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.09 -28.34 48.98 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.669 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -106.43 -10.47 16.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.54 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 30.3 m80 -126.19 85.82 59.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.052 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 -36.88 9.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.528 2.152 . . . . 0.0 111.98 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 6.0 38.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.59 83.15 1.97 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.74 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.81 137.08 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -55.25 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.522 0.201 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 45.2 t -87.47 123.57 69.37 Favored Pre-proline 0 C--N 1.334 -0.105 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.57 -4.94 14.07 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.458 2.105 . . . . 0.0 112.967 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 22.2 tp10 -100.47 -71.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.41 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 11.0 p -78.16 -27.32 48.08 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.927 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 46.55 7.73 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.517 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -95.62 176.49 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.59 0.233 . . . . 0.0 110.831 -179.542 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.294 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 54.1 t -121.46 131.5 24.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.77 -29.27 70.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 18' ' ' HIS . 5.9 p-10 -110.99 -8.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.678 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 38.1 m80 -133.75 71.28 74.87 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.23 -51.62 7.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.472 2.115 . . . . 0.0 112.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -43.62 75.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.01 109.21 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.002 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.32 139.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.552 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -61.52 109.59 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.68 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.774 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.589 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.614 0.245 . . . . 0.0 111.27 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 53.8 t -90.56 112.28 52.23 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.588 0.232 . . . . 0.0 110.794 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.15 -21.38 12.71 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.908 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.2 mm-40 -82.14 -84.4 0.12 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.362 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 10.3 p -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 50.86 5.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.096 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -98.87 170.13 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.358 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.939 0.4 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.3 t -96.9 138.29 21.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.646 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -56.78 -31.97 90.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.553 2.169 . . . . 0.0 112.743 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -112.96 -6.89 13.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.833 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.8 m80 -128.38 78.7 75.28 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.82 -23.16 41.91 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.477 2.118 . . . . 0.0 112.256 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.83 -31.1 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -172.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.42 91.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 78.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.456 -179.76 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.658 0.266 . . . . 0.0 111.251 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' GLY . 29.2 t -97.11 113.98 63.96 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 11.2 Cg_endo -54.92 -21.23 25.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.309 2.006 . . . . 0.0 112.325 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -76.73 -79.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 13.5 p -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.637 0.256 . . . . 0.0 111.328 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 75.2 44.1 23.87 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.675 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -89.77 174.71 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.611 0.243 . . . . 0.0 110.481 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.5 t -107.67 138.24 19.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.47 -43.48 27.47 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.568 2.179 . . . . 0.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -4.55 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 39.2 m80 -140.27 74.12 30.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.731 0.301 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.97 -25.25 77.66 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.619 2.213 . . . . 0.0 112.303 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -82.88 -40.38 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' CB ' ' CG ' ' A' ' 36' ' ' GLU . . . -89.6 112.0 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -82.9 140.95 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.4 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.59 100.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.655 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.995 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.659 0.266 . . . . 0.0 111.14 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.6 t -96.11 111.51 56.61 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.81 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.31 -22.21 11.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.581 2.187 . . . . 0.0 112.932 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 17.1 mm-40 -81.41 -83.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.566 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 p -66.66 -23.75 66.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.88 50.26 14.22 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.191 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.35 171.55 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.245 -179.898 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.947 0.404 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 43.9 t -68.1 135.07 91.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.07 -24.81 59.23 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.491 2.127 . . . . 0.0 112.528 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -112.35 -9.38 13.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.554 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.6 m80 -129.36 81.82 69.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.713 0.292 . . . . 0.0 111.065 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.55 -32.32 48.88 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.547 2.165 . . . . 0.0 112.223 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.18 -39.68 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.09 105.98 16.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.61 138.49 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -53.09 110.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.662 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.653 0.264 . . . . 0.0 111.188 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 t -90.22 113.84 58.81 Favored Pre-proline 0 CA--C 1.528 0.126 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.39 -19.89 45.69 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.479 2.12 . . . . 0.0 112.486 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -72.36 -78.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 5.9 p -72.68 -29.2 63.21 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.378 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.7 53.84 4.83 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.302 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -114.23 160.73 18.7 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.531 -179.609 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.3 t -58.17 135.3 84.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.17 -30.27 38.2 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.461 2.107 . . . . 0.0 112.434 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -103.51 -6.21 22.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.524 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 31.6 m80 -132.81 90.51 32.03 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.645 0.26 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.93 -26.02 44.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.367 2.044 . . . . 0.0 112.221 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.32 -48.64 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.05 113.84 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.96 132.86 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.67 104.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.078 179.987 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 111.398 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.415 ' N ' HG13 ' A' ' 33' ' ' ILE . 38.2 t -102.71 101.54 21.22 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.248 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -48.73 -24.76 7.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.737 2.291 . . . . 0.0 112.671 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 10.9 tp10 -66.24 -72.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -80.61 -45.93 16.51 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.967 0.413 . . . . 0.0 110.339 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.93 46.52 1.36 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.415 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -98.74 166.31 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.711 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.439 -179.545 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 17.1 t -91.07 140.09 25.87 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.537 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.39 -41.19 78.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.43 2.087 . . . . 0.0 112.602 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -102.46 -2.05 29.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 37.5 m80 -136.08 78.92 45.61 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.77 -24.76 46.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -78.18 -46.07 21.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.3 111.35 23.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.56 151.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.457 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.24 110.19 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.668 0.27 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 t -88.46 134.66 33.87 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.801 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.78 -1.1 11.2 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.38 2.054 . . . . 0.0 112.643 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 23.2 mm-40 -109.17 -76.95 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.106 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.51 -17.82 63.63 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.971 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 49.27 57.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.976 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -93.1 172.28 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.609 0.243 . . . . 0.0 110.563 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.831 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.798 0.332 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.3 t -109.52 135.76 20.31 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.72 -28.08 68.58 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.45 2.1 . . . . 0.0 112.29 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.89 -9.45 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.8 m80 -130.95 75.2 78.97 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.8 -22.34 73.31 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.44 2.093 . . . . 0.0 112.104 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.53 27.23 7.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.86 99.35 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -79.37 115.32 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.52 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.55 157.7 6.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.211 179.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.219 -179.792 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.75 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.624 0.25 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 44.3 t -90.91 113.2 57.25 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.234 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.88 -22.2 13.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.489 2.126 . . . . 0.0 112.903 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 80.6 mm-40 -81.76 -84.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.432 -179.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.2 p -68.79 -22.81 64.25 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.675 0.274 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 74.15 56.42 5.24 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.616 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.75 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.1 171.84 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -179.827 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 40.8 t -71.39 138.97 83.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.33 -35.21 85.24 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.523 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -105.43 -6.17 19.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.868 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.1 m80 -130.47 80.8 69.56 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -63.81 -46.25 9.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.36 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.062 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.4 123.48 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.105 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.31 139.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -58.14 116.8 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.711 179.574 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.623 0.249 . . . . 0.0 111.41 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 21.0 t -86.11 134.7 38.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.82 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.02 -1.39 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.285 1.99 . . . . 0.0 112.531 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 5.5 mm-40 -110.28 -77.79 0.59 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.098 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 22.6 p -69.66 -12.95 62.04 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.43 54.41 38.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.962 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -99.4 172.22 7.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.63 -179.727 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.319 -179.757 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.3 t -62.65 135.77 95.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.75 -22.65 69.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.457 2.104 . . . . 0.0 112.59 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -115.99 -10.69 11.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.643 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 31.2 m80 -125.08 86.31 56.92 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.646 0.26 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.77 -27.98 25.74 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.517 2.145 . . . . 0.0 112.162 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.76 -69.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.56 110.92 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 pt -81.2 156.18 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.472 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 1.1 mp -75.53 109.39 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.804 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.33 -0.252 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 179.348 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 2.2 pp . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 44.3 t -105.64 128.47 26.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.434 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.45 -7.12 20.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.166 1.911 . . . . 0.0 112.795 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -101.21 -79.51 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.268 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 15.7 p -68.21 -23.69 64.85 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 72.01 54.88 7.64 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.096 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -101.88 175.76 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.889 -179.369 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -67.82 -30.56 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 p -59.31 -31.26 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -91.79 112.78 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -71.96 -60.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.44 125.02 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -110.94 -30.0 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 80.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -77.45 -61.03 0.68 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 10' ' ' LEU . 63.9 Cg_endo -73.74 130.92 15.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.434 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -93.1 118.52 31.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -72.92 101.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.67 177.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 20.3 t -84.09 132.32 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.665 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.83 -37.27 95.96 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.48 2.12 . . . . 0.0 112.542 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 73.3 m-20 -102.11 11.36 38.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.665 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.1 m80 -153.09 89.15 3.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.99 -46.32 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.195 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.23 -38.32 90.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.49 122.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mt -104.6 134.76 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.314 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.18 112.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 32' ' ' MET . 6.5 t -75.75 157.71 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -123.17 145.25 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -81.24 -164.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.48 -29.25 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 172.04 122.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.205 0.526 . . . . 0.0 110.406 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 75.52 27.67 1.01 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 26' ' ' ASP . . . -118.55 -16.06 5.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.77 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.48 -173.05 0.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 26.2 mtm -117.32 118.31 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.9 pp -111.21 155.91 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.819 0.342 . . . . 0.0 111.737 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -100.44 136.51 19.96 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.66 1.82 7.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 0.0 113.121 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 60.6 mm-40 -115.09 -77.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.029 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 19.6 p -68.39 -13.33 62.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.899 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 54.1 39.75 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.115 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -97.68 178.75 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.531 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t -146.27 92.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.53 130.75 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.213 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.24 65.48 1.02 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -88.17 -31.54 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.15 169.82 16.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.42 102.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.64 93.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.62 91.45 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.88 82.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.59 92.97 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.54 33.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' ARG . 7.6 mm-40 -126.05 11.27 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 66.96 -66.26 0.19 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.762 0.315 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER 68.26 86.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 m -157.71 166.65 32.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -90.12 59.71 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.8 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m 62.62 148.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.52 156.4 38.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -87.48 -32.27 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -122.92 -44.64 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.05 -41.98 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.74 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 63.53 133.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 pp -171.69 47.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.97 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.27 -172.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -62.02 -51.08 77.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 10' ' ' LEU . 28.0 Cg_exo -62.0 150.98 84.23 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.551 2.168 . . . . 0.0 112.123 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -141.76 173.8 11.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 t -92.36 48.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -147.13 157.47 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.6 t -59.77 134.32 89.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.756 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.14 -20.76 49.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.444 2.096 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -114.79 -13.24 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.535 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.622 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.3 m80 -124.61 87.41 54.58 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.36 -41.56 20.39 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.604 2.203 . . . . 0.0 111.903 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -92.26 40.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.08 63.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 pt -57.08 132.56 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.614 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -62.6 114.24 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 t -78.66 159.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.43 158.19 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -87.65 -164.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -53.49 -60.09 3.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.316 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.45 18.84 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.6 25.75 2.95 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.479 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.22 -29.29 74.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.262 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -151.53 158.95 44.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.605 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.1 mtt -99.02 171.79 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.636 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -158.5 132.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 42.4 t -89.37 115.37 63.57 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.545 0.212 . . . . 0.0 110.765 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.63 -19.16 36.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.394 2.063 . . . . 0.0 112.613 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.622 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -79.54 -83.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.036 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 8.0 p -67.39 -40.18 85.64 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.693 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 63.42 1.37 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.45 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -123.64 162.69 22.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -109.78 120.71 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.883 0.373 . . . . 0.0 111.517 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 19.8 t -124.32 90.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.995 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.0 156.03 29.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.405 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.79 -30.54 67.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -66.38 96.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.56 60.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.7 mt -85.16 72.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.43 82.79 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.57 128.72 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.0 151.14 51.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.58 179.98 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.73 26.93 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -92.53 98.59 11.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 63.8 132.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.8 p -80.31 -176.36 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 60.85 -171.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 p 62.21 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 59.45 98.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -138.45 -55.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -98.52 97.05 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 m -131.04 -66.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -162.84 -66.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -148.94 -62.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.07 133.32 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -136.4 89.9 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 35.45 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.17 118.89 48.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.47 79.77 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.408 2.072 . . . . 0.0 112.235 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 ttp-105 -101.62 59.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 m -63.67 81.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.0 -177.43 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.215 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.1 t -89.56 136.18 29.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.52 -26.38 62.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.432 2.088 . . . . 0.0 112.61 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -111.04 -9.54 14.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 33.0 m80 -127.61 83.48 65.95 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.2 -27.78 41.02 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.497 2.131 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -99.56 31.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.92 80.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tt -66.79 130.57 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -61.55 113.04 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.823 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.78 160.4 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.727 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -107.94 137.65 45.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.11 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 42.68 93.29 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.563 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -117.56 -61.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.5 20.59 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.134 0.492 . . . . 0.0 111.351 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.4 -44.71 0.1 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.226 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.78 -37.32 1.99 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -82.36 -168.69 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 mtm -83.95 155.85 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.83 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -152.26 139.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 48.4 t -93.78 117.83 67.3 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.581 0.229 . . . . 0.0 111.089 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.63 -19.76 25.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.353 2.036 . . . . 0.0 112.691 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 10.9 mm-40 -87.99 -83.3 0.21 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.566 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 24.6 p -69.61 -13.44 62.32 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.593 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 60.09 56.64 23.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.92 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.22 177.75 4.76 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.63 112.51 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 39' ' ' LEU . 34.2 t -104.54 133.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.74 166.96 39.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.556 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -170.7 83.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 86.46 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 p -137.77 42.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.999 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 mt -93.95 59.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.67 95.6 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.6 m -97.48 30.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.54 -81.21 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.05 147.73 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.47 -46.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -113.53 30.37 7.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.959 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -34.57 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -176.94 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -83.12 -42.27 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m 60.52 169.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.02 131.23 49.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -99.55 -42.33 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.23 33.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -112.33 -31.59 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t 60.84 79.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.25 114.06 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.93 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.65 79.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.45 141.73 41.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.96 147.88 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.79 138.47 26.28 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.609 2.206 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -105.42 85.47 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -102.71 161.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p 72.04 175.31 0.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.6 t -94.49 136.7 23.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.747 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.13 -33.45 61.22 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.488 2.126 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.64 -5.31 23.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.7 m80 -136.96 71.39 56.15 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.31 -57.94 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.438 2.092 . . . . 0.0 112.035 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.59 -40.08 90.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.6 88.06 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -78.72 137.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.05 -178.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.745 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.8 t -141.87 160.07 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -73.76 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.56 -168.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.14 71.74 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 62.44 108.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 177.87 -37.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.39 27.51 5.52 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.63 160.46 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.5 mtt -117.48 171.44 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.591 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.634 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 32.9 mm -141.25 145.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.242 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 45.0 t -91.18 130.93 38.27 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.59 0.233 . . . . 0.0 110.528 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.34 2.39 7.76 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.339 2.026 . . . . 0.0 113.044 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 8.1 mm-40 -108.9 -58.45 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.582 0.23 . . . . 0.0 111.016 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.18 -16.56 20.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.488 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.71 53.56 23.32 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.668 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -105.33 168.7 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -119.28 116.25 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.331 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.02 132.14 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.12 169.6 39.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -176.99 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -60.77 178.92 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.93 119.07 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD12 HG21 ' A' ' 46' ' ' ILE . 28.2 mm -78.84 78.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.89 173.24 6.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.36 153.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.85 -44.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 m -132.35 176.44 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.808 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.25 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -112.11 170.41 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 61.9 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -136.21 161.28 36.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.84 104.47 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.3 t -131.88 108.37 9.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -76.29 149.11 37.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -90.99 144.78 25.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.823 0.344 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 155.76 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.2 m 60.08 95.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -168.22 -54.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -102.42 172.11 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.14 84.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -91.55 -178.92 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.84 -174.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.84 135.27 67.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 106.4 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.517 2.145 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -82.07 -164.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.8 t 59.93 110.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.75 -174.95 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.036 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.2 t -86.61 135.9 35.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.78 -30.9 33.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.378 2.052 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.97 -6.11 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 34.8 m80 -134.57 75.94 62.21 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 -24.51 30.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.506 2.137 . . . . 0.0 112.414 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -72.96 -33.23 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mt -128.21 141.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -63.11 107.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 t -62.42 159.95 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -102.55 138.93 38.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.47 -176.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -36.32 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.58 -134.76 0.32 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.91 40.08 1.05 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.92 15.36 59.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.409 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 61.46 -177.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.712 0.291 . . . . 0.0 110.817 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.76 158.1 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.735 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -139.37 148.18 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 42.3 t -99.08 107.46 44.29 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.7 -23.19 14.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.378 2.052 . . . . 0.0 112.532 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 6.3 mm-40 -75.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.1 p -75.54 -38.59 59.22 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 92.75 49.15 2.78 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.834 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 pp -100.43 -178.3 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.797 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -135.85 108.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 ' CG1' HD21 ' A' ' 23' ' ' LEU . 13.4 p -106.85 134.61 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.06 17.27 14.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.762 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -71.01 174.72 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.758 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -88.08 76.94 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 p -168.24 140.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.6 tt -143.6 62.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -171.73 41.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -61.53 -30.64 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.32 161.51 13.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t 63.36 140.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -142.52 103.84 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -33.96 6.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 96.06 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.03 52.65 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -100.53 32.38 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.72 163.86 27.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.4 149.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.42 31.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 171.58 11.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -108.06 151.1 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -137.92 36.46 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -145.6 168.84 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.04 144.62 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -156.22 149.7 24.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.96 42.86 9.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -86.53 -53.26 0.42 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 10' ' ' LEU . 94.5 Cg_endo -85.98 172.3 7.6 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.79 2.327 . . . . 0.0 112.679 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.03 174.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.53 159.34 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 p -97.96 -177.05 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 52.1 t -82.39 135.91 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.96 -29.68 57.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.399 2.066 . . . . 0.0 112.392 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.79 -8.26 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.514 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.4 m80 -131.31 77.56 73.91 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.662 0.268 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.67 -32.27 30.87 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.455 2.103 . . . . 0.0 112.205 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.41 -30.59 66.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.7 179.87 5.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tt -147.37 124.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -66.95 105.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -58.05 -165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -151.2 168.13 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.873 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.33 90.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.978 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.28 -63.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 19.88 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.226 0.536 . . . . 0.0 111.224 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 179.31 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.15 48.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.364 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -114.81 169.72 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp -102.29 152.06 21.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 30.2 mm -145.94 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.073 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 49.7 t -95.91 122.7 57.8 Favored Pre-proline 0 C--N 1.333 -0.15 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.0 -10.34 25.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.189 1.926 . . . . 0.0 112.933 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mm-40 -96.05 -77.39 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.285 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 20.3 p -73.5 -19.02 61.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.4 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.25 52.16 33.47 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.587 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -101.49 174.96 5.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.548 0.213 . . . . 0.0 110.468 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 t -133.21 111.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.306 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 ' CD1' ' A' ' 39' ' ' LEU . 37.9 t -96.95 133.31 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.35 38.81 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.2 114.58 21.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -101.72 98.83 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.66 140.96 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 tt -140.36 41.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -172.72 75.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.63 158.89 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.74 -148.99 22.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.585 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.409 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -109.99 -34.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.53 18.51 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.253 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CE3' ' O ' ' A' ' 50' ' ' SER . 3.8 m-90 -113.39 55.04 0.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 110.779 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 82.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 t -154.3 65.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -129.47 -56.45 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 p -92.35 173.37 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 m120 63.88 133.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.67 175.07 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.22 149.08 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -100.33 -65.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -77.59 -169.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 125.85 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 1.2 mm? -114.21 63.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.83 128.4 7.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.16 148.9 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.01 150.55 0.1 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.1 115.38 4.29 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.625 2.216 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -100.29 73.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.31 136.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.378 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.96 -174.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.8 t -96.55 139.66 21.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.64 -36.66 91.63 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.719 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -105.92 -4.69 20.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.869 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.9 m80 -132.21 79.19 66.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.75 -28.15 37.21 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.81 -69.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 119.06 19.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.3 149.66 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.234 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.32 133.91 56.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.73 161.2 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.21 135.23 54.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.54 -46.05 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.12 32.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.86 20.57 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.125 0.488 . . . . 0.0 111.232 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.06 14.34 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.78 46.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.627 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.73 123.28 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.7 mtt -97.0 89.8 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.7 pp -84.01 153.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 27.7 t -94.67 134.63 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.28 -3.26 13.53 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.372 2.048 . . . . 0.0 112.699 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 16.0 mm-40 -110.24 -78.0 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -68.68 -21.62 64.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 73.09 55.34 6.36 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.056 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 pp -93.23 -179.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 29.0 t -148.42 93.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.314 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 67.7 t -133.11 102.73 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.951 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.27 107.71 2.17 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.94 170.04 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -157.43 39.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 p -92.25 121.34 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.033 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.98 92.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.91 32.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.28 -32.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.93 -55.4 4.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m 61.12 66.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.946 0.403 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.13 142.52 50.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -87.34 54.82 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -139.04 -173.2 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 m -110.6 159.29 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -92.97 -75.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.5 m -105.57 -15.48 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.8 m120 62.59 147.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.37 22.59 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -75.01 90.52 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -140.63 -47.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -132.78 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.38 169.26 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.76 95.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -119.95 154.8 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.62 142.5 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -148.64 101.05 3.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.45 144.28 18.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.64 101.6 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -72.48 133.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 p 55.95 -170.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.8 t -97.34 137.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 25.4 Cg_exo -62.58 -27.31 76.39 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.552 2.168 . . . . 0.0 112.527 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.01 -10.77 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.673 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.6 m80 -127.26 73.6 77.32 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -56.75 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.624 2.216 . . . . 0.0 112.18 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.14 -41.43 96.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' CB ' ' CG ' ' A' ' 36' ' ' GLU . . . -87.51 76.5 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.37 142.47 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -47.93 169.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.654 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t -137.7 159.07 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.67 140.42 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.27 -48.08 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 179.6 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -94.27 19.51 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.138 0.494 . . . . 0.0 111.559 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 50.37 29.22 3.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.359 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.73 -46.34 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.42 96.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.9 mtt -86.16 116.41 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.806 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -117.38 130.28 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 39.5 t -90.28 119.73 69.18 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.49 -13.83 31.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.572 2.182 . . . . 0.0 113.149 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 62.3 mm-40 -92.0 -81.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.269 -0.172 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 p -66.07 -27.86 68.4 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.721 0.295 . . . . 0.0 111.001 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.89 47.96 8.15 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.941 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -94.0 172.43 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -143.78 110.22 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.2 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 22.7 t -98.61 127.11 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.091 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.73 62.61 3.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.05 110.79 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 59.58 67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.61 87.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.1 tt -79.96 107.26 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.87 110.42 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -145.95 63.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 168.42 137.25 2.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.4 170.07 21.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -158.02 98.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -90.98 134.13 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.16 168.62 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.4 m -79.54 162.82 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -88.98 -45.77 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.62 160.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.66 30.6 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.5 109.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.844 0.354 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -176.1 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -118.06 -41.93 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.23 169.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.02 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -137.47 133.65 34.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.95 85.83 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.02 72.13 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 5.3 mt -61.92 -60.74 9.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 10' ' ' LEU . 56.2 Cg_endo -70.69 161.67 45.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.479 2.12 . . . . 0.0 112.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -166.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.44 103.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -159.73 -176.6 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.766 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 19.2 t -76.98 127.2 84.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.68 -25.76 69.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.416 2.077 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.98 -20.63 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.309 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 37.3 m80 -121.19 73.71 27.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.02 -38.47 16.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.591 2.194 . . . . 0.0 112.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.9 -31.8 70.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.716 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.78 131.97 46.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.58 135.15 42.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.54 112.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t -81.77 159.64 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -77.38 145.96 36.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -62.75 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -160.37 52.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 60.0 21.17 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.135 0.493 . . . . 0.0 111.334 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.97 -32.28 16.01 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.84 -51.36 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.594 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.03 133.61 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.96 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.52 169.91 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.659 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -151.44 144.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' HD21 ' A' ' 39' ' ' LEU . 16.2 t -87.85 113.09 53.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.387 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.69 -21.75 40.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -70.39 -71.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.672 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -87.64 -45.46 10.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 110.804 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.56 53.31 0.99 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.401 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.659 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.84 167.9 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.43 119.03 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.009 0.433 . . . . 0.0 111.948 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.436 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 33.2 t -127.11 129.43 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.902 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.08 53.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.593 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -99.13 120.58 39.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.801 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.32 178.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.67 143.2 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.98 49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.4 71.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -99.39 102.2 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.11 67.23 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.442 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.0 p -77.19 80.42 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -112.42 -73.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -104.78 138.97 40.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -128.54 169.17 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 p -76.95 -33.76 57.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -91.67 143.01 26.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.9 m -111.78 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -112.37 -46.65 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.4 98.33 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -112.78 172.44 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 t -166.42 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -173.16 104.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -131.76 126.46 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 66.55 -66.8 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.76 88.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.11 71.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.69 87.79 52.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 140.14 40.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.588 2.192 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -117.24 131.27 56.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.6 t 47.01 48.39 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.91 -175.3 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.049 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.6 t -101.34 136.72 19.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.69 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -33.4 63.18 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.407 2.072 . . . . 0.0 112.495 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -103.03 -4.9 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.9 m80 -137.75 73.26 47.66 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.752 0.311 . . . . 0.0 110.742 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.47 -23.6 43.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.277 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.32 -39.14 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 149.67 21.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.67 136.11 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.069 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 100.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t -62.46 160.49 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -102.96 164.74 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.33 -171.27 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.53 34.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -136.93 18.95 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.27 0.557 . . . . 0.0 111.225 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 179.61 -69.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 44.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.382 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -122.77 168.84 11.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.3 mtt -115.58 160.38 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.56 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -152.05 142.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 45.3 t -96.91 108.87 46.06 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.748 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.17 -23.98 14.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.583 2.188 . . . . 0.0 112.951 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 20.2 mm-40 -74.09 -80.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.2 p -72.66 -41.91 64.91 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.589 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.84 51.68 1.91 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.158 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -101.59 172.42 6.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.78 113.83 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 111.299 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -104.21 132.56 50.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 86.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.613 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.28 -30.56 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -116.19 134.42 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 102.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.27 112.51 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.3 136.38 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.26 110.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.67 175.99 47.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.3 m -114.23 159.28 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -82.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.5 m95 54.43 30.76 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 24.08 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 m 62.94 15.96 8.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 44.92 78.92 0.05 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.85 -173.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -131.85 48.41 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.4 153.87 44.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.871 0.367 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -87.8 139.42 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -140.83 -52.77 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -126.35 -53.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.66 161.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.57 -23.26 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t70 65.87 83.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.87 68.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' N ' ' HD3' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -153.5 64.5 5.0 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.019 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 10' ' ' LEU . 20.2 Cg_exo -65.52 -167.99 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.673 2.249 . . . . 0.0 112.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 57.82 71.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.026 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.17 85.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p -133.43 -178.27 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.0 t -107.32 140.12 21.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.0 -41.46 76.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.578 2.185 . . . . 0.0 112.793 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -102.4 -3.68 26.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.882 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.5 m80 -131.78 86.06 49.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.673 0.273 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.82 -26.58 59.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.557 2.171 . . . . 0.0 112.12 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -41.51 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.705 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.67 171.38 4.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 108.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.309 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 98.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.517 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -46.8 161.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -136.49 123.74 21.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.924 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.92 113.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -125.01 -66.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.0 20.54 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.238 0.542 . . . . 0.0 111.461 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -161.02 -42.92 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.67 39.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.572 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.59 161.78 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.74 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mtt -94.33 156.0 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -156.89 133.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.9 t -96.22 118.53 65.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.17 -12.17 25.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.929 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 18' ' ' HIS . 6.8 tp10 -89.99 -75.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.43 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 p -74.64 -24.13 58.78 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.66 45.38 17.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.114 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -93.8 170.19 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.643 0.258 . . . . 0.0 110.467 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.79 112.63 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 t -96.01 128.27 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.51 104.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.611 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -111.74 -34.07 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -84.73 157.57 21.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.4 92.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 pt -69.71 84.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.35 159.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.02 104.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.98 -85.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.544 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -125.45 135.87 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.22 71.56 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.0 m95 59.81 104.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -44.67 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -170.61 134.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.19 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 m -97.55 -35.56 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -107.43 115.74 30.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.35 164.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 pttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -158.61 -179.45 8.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 p -137.4 -48.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p -110.79 75.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 -157.23 41.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.19 172.26 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.21 -42.65 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.32 157.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.4 150.79 47.13 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.25 129.03 29.62 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -89.44 106.86 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t 50.13 90.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -158.46 166.53 31.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.0 t -74.34 136.0 75.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.689 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.51 -29.04 53.27 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.491 2.127 . . . . 0.0 112.541 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.78 -7.52 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.544 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 31.8 m80 -130.04 86.52 54.24 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.712 0.291 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -20.05 33.77 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.546 2.164 . . . . 0.0 112.245 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.31 24.99 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.35 153.47 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.87 128.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.234 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -57.31 102.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t -72.85 159.45 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.33 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.19 147.23 29.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.87 -32.0 35.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 t80 61.06 26.69 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.03 20.32 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.205 0.526 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -179.19 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.186 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 30.51 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.75 165.41 16.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -111.63 169.38 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -160.36 142.57 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 21.7 t -99.94 105.43 34.9 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.502 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.05 -24.84 8.13 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.507 2.138 . . . . 0.0 112.61 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -68.38 -77.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 6.8 p -77.74 -43.04 32.13 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.97 0.414 . . . . 0.0 110.346 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 52.41 1.43 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -106.76 166.96 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 t -126.37 116.79 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.524 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 t -111.67 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.971 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.79 75.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.564 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.43 85.09 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.35 35.36 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.14 105.03 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mt -107.7 71.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -150.52 32.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.28 115.68 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.0 154.39 29.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.579 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 m -82.85 -172.61 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.77 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.62 -30.73 7.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -136.63 -47.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.7 30.74 0.56 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.447 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.55 114.65 26.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 59.9 80.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.61 74.99 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -161.15 -44.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.26 158.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 60.43 57.96 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -123.56 32.92 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t 60.77 40.55 15.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 107.06 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -111.33 125.77 54.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.95 -70.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.98 171.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mp 60.79 81.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.45 -177.27 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.539 2.16 . . . . 0.0 112.236 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.58 94.28 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.21 80.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -120.94 166.06 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.5 t -71.51 135.77 83.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.804 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.62 -25.92 61.75 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.442 2.095 . . . . 0.0 112.452 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.85 -13.7 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 27.3 m80 -121.71 83.8 42.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.39 -28.97 54.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.403 2.068 . . . . 0.0 111.935 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -79.06 -45.41 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 166.89 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -139.91 122.97 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' CD2' ' CG2' ' A' ' 41' ' ' VAL . 10.7 mp -57.9 119.63 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.578 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 t -96.48 159.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.32 174.64 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.21 -76.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -147.35 -63.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.83 108.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 172.78 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.56 29.18 1.78 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.549 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -114.72 106.09 13.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -135.94 127.08 28.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.01 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.8 pp -113.23 161.29 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.2 t -97.52 127.79 36.7 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.85 58.23 5.97 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.097 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 25.8 tp10 -167.33 -70.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.319 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -82.47 -25.37 33.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.897 0.379 . . . . 0.0 110.025 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.44 53.89 4.91 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.651 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -100.0 169.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.61 113.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 39.7 t -106.88 134.99 46.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.783 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.16 -70.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.347 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -177.92 176.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -162.42 -175.73 4.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -101.38 106.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.1 pt -64.09 92.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -116.79 32.24 6.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.3 t -104.05 158.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -125.55 -41.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -61.61 176.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -130.59 -71.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -114.48 30.38 7.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -146.64 132.02 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -107.09 137.34 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.72 158.14 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t 60.2 175.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -126.16 158.54 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.36 171.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -116.06 124.47 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -64.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -163.25 -58.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 69.78 -64.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp 64.61 137.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 129.3 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.02 166.83 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -177.08 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 10' ' ' LEU . 63.7 Cg_endo -73.94 115.79 4.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.271 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -97.22 38.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -148.91 60.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.8 p -116.48 -177.72 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.072 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.6 t -75.84 134.86 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.99 -23.4 46.76 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.356 2.037 . . . . 0.0 112.432 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -110.41 -20.13 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 35.9 m80 -117.44 72.58 7.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.19 -29.5 47.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.47 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.41 111.29 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 tt -80.71 139.04 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' CD2' ' CG2' ' A' ' 41' ' ' VAL . 4.0 mp -58.1 106.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -66.8 -165.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 6.8 mt-10 -132.16 152.42 51.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.35 -46.3 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.34 -73.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.24 22.37 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.452 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.26 -33.94 15.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.26 19.6 7.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.725 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.62 118.24 36.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.754 0.311 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mtt -95.49 133.42 39.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 39' ' ' LEU . 41.5 mm -124.63 140.84 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 34.3 t -96.33 109.63 48.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.59 -21.72 15.12 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 3.1 mm-40 -81.35 -82.93 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.295 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 15.6 p -69.67 -30.59 68.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 82.15 49.41 5.29 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.609 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.488 ' O ' HD11 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -94.88 175.49 6.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.01 110.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.406 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 22.0 t -93.63 132.83 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.62 52.24 31.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.26 173.97 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.992 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 97.36 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.1 p -106.21 118.57 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 43.36 40.96 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.717 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -162.48 50.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.4 m -65.09 -30.11 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.244 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.57 133.74 6.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 p -106.2 30.6 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.42 -36.96 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 59.32 44.51 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -152.81 150.19 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 p -138.38 131.74 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -106.61 -48.08 3.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.94 77.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -141.94 -51.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.81 120.99 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 60.28 -176.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.6 m -150.19 76.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.0 55.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.4 -53.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -176.9 163.76 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.959 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.24 157.39 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.62 116.34 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.071 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 11.9 tp -70.55 -49.4 15.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.348 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' ' 10' ' ' LEU . 92.9 Cg_endo -78.84 153.67 25.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.399 2.066 . . . . 0.0 112.393 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -79.24 59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 m -82.99 -179.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.16 167.41 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.712 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.6 t -60.23 134.93 90.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.03 -25.43 51.55 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.494 2.13 . . . . 0.0 112.497 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -9.26 14.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.2 m80 -129.21 80.37 72.58 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.758 0.313 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.97 -43.67 6.33 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.6 2.2 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' CB ' ' CG ' ' A' ' 36' ' ' GLU . . . -94.21 84.32 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.2 142.68 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.186 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 15' ' ' CYS . 6.8 mp -54.41 152.42 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 32' ' ' MET . 17.4 t -105.57 160.2 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.73 129.06 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.979 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.3 -167.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.64 -60.49 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 105.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 73.81 30.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.36 16.76 44.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.647 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.01 -177.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.053 0.454 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.2 mmm -105.23 124.47 49.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.688 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -109.7 131.79 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.447 -179.411 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 42.3 t -90.03 118.12 68.63 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.627 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.56 -17.04 26.36 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 113.289 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -90.0 -81.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.434 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 21.1 p -67.77 -25.56 65.68 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.206 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.43 48.38 8.16 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.77 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -89.01 174.58 7.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.538 0.208 . . . . 0.0 110.564 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.4 t -148.6 103.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.139 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 39' ' ' LEU . 56.7 t -143.6 109.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.213 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.88 40.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -79.48 127.32 31.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -177.23 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t 51.51 77.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mp -135.69 53.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -69.84 179.14 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.54 100.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.72 141.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.396 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.51 88.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -31.8 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -63.64 -72.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -164.46 167.89 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.9 p -86.35 122.7 30.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -125.6 136.27 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.74 164.12 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 60.88 36.68 18.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.15 -46.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tptt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -75.42 -49.06 20.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -123.83 122.25 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.64 105.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -174.59 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -164.33 -178.45 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.22 -43.92 92.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.49 54.63 7.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.36 144.08 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 155.74 12.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.452 2.102 . . . . 0.0 112.224 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 168.91 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.5 p 43.53 44.74 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.554 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.25 153.3 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.5 t -57.36 135.54 81.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.09 -28.34 48.98 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.669 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -106.43 -10.47 16.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.54 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 30.3 m80 -126.19 85.82 59.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.052 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 -36.88 9.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.528 2.152 . . . . 0.0 111.98 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 6.0 38.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.59 83.15 1.97 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.74 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tt -67.81 137.08 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -55.25 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t -122.2 160.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -120.88 87.9 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.81 144.91 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.1 m-85 -86.15 56.56 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 6.4 mmt-85 -164.38 110.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.23 22.89 13.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.67 30.47 43.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.74 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.2 139.13 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 3.7 mtt -118.24 155.61 30.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.55 133.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.176 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' LEU . 45.2 t -87.47 123.57 69.37 Favored Pre-proline 0 C--N 1.334 -0.105 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.57 -4.94 14.07 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.458 2.105 . . . . 0.0 112.967 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 22.2 tp10 -100.47 -71.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.41 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 11.0 p -78.16 -27.32 48.08 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.927 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 46.55 7.73 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.517 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -95.62 176.49 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.59 0.233 . . . . 0.0 110.831 -179.542 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.78 111.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.294 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 32' ' ' MET . 10.6 t -97.36 132.78 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.97 86.85 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.0 158.29 15.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -175.33 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.84 138.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 tt -56.37 135.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.06 165.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.4 p -88.22 54.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.82 132.41 10.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 96.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -143.72 128.18 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -110.17 177.1 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -172.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 m 63.51 154.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -97.81 37.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.65 158.2 17.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -142.28 94.14 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 91.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -147.0 150.39 35.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m 60.62 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -74.2 84.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -112.18 125.29 53.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.49 -42.25 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -170.39 124.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.22 119.66 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 tp -173.04 96.94 0.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.13 106.47 1.36 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.465 2.11 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.21 130.89 51.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.74 164.39 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 p 56.36 -172.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.023 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 54.1 t -121.46 131.5 24.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.77 -29.27 70.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 18' ' ' HIS . 5.9 p-10 -110.99 -8.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.678 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 38.1 m80 -133.75 71.28 74.87 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.23 -51.62 7.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.472 2.115 . . . . 0.0 112.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -43.62 75.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.01 109.21 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.002 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.32 139.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.552 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' CD2' ' CG2' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -61.52 109.59 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.68 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -47.92 161.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -113.53 102.79 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.136 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 148.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 179.18 106.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.81 22.12 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.211 0.529 . . . . 0.0 110.862 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 76.75 38.23 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 18.64 10.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.846 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.86 -156.04 0.32 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.715 0.257 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.9 mtm -68.02 151.32 47.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.713 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.589 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -155.78 131.68 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.27 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 53.8 t -90.56 112.28 52.23 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.588 0.232 . . . . 0.0 110.794 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.15 -21.38 12.71 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.908 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.2 mm-40 -82.14 -84.4 0.12 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.362 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 10.3 p -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 50.86 5.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.096 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -98.87 170.13 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.23 114.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.358 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 24.4 t -106.74 133.12 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.037 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.13 179.17 40.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.97 -169.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -65.5 112.78 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.3 p -168.94 123.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.38 128.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -99.08 85.71 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.0 p -139.67 132.76 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.85 -36.84 0.38 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.394 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -59.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 63.89 47.92 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -80.51 177.85 8.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -124.02 -175.23 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -118.23 165.79 13.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.11 114.96 13.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.09 -47.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m120 68.71 -68.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -172.38 -73.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 tttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -100.09 -75.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 62.76 121.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -151.2 170.62 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.39 157.56 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mp 60.88 160.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.04 133.1 54.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.11 142.6 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.31 120.36 3.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 103.61 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.37 2.047 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.9 104.1 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.31 89.42 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.73 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.3 t -96.9 138.29 21.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.646 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -56.78 -31.97 90.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.553 2.169 . . . . 0.0 112.743 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -112.96 -6.89 13.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.833 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.8 m80 -128.38 78.7 75.28 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.82 -23.16 41.91 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.477 2.118 . . . . 0.0 112.256 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.83 -31.1 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -172.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.42 91.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 78.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -46.55 160.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.456 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -128.11 113.33 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.23 170.32 9.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -96.4 -65.43 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -127.53 20.08 6.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 111.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.44 -32.66 18.18 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.85 43.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.566 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.83 -159.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 158.75 35.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.697 0.284 . . . . 0.0 110.959 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -152.33 137.65 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.251 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' GLY . 29.2 t -97.11 113.98 63.96 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 11.2 Cg_endo -54.92 -21.23 25.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.309 2.006 . . . . 0.0 112.325 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -76.73 -79.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 13.5 p -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.637 0.256 . . . . 0.0 111.328 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 75.2 44.1 23.87 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.675 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -89.77 174.71 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.611 0.243 . . . . 0.0 110.481 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.88 108.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.0 t -92.04 123.9 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 -81.9 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.183 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.32 -81.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.14 97.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.042 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 m -73.36 152.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.31 63.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.41 152.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.5 m -72.73 -179.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.14 -142.66 6.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.577 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -127.84 41.7 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 61.52 31.25 18.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -117.05 121.35 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.48 48.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 p -71.33 -32.56 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -135.87 169.12 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -79.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -177.94 87.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.71 -169.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tttm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.856 0.36 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m 60.39 32.83 20.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.35 116.19 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -130.57 179.55 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.0 113.43 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -117.87 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -116.35 167.64 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.38 119.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.96 108.63 47.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.85 94.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.467 2.111 . . . . 0.0 112.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 76.83 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.59 159.23 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.84 168.25 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.5 t -107.67 138.24 19.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.47 -43.48 27.47 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.568 2.179 . . . . 0.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -4.55 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 39.2 m80 -140.27 74.12 30.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.731 0.301 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.97 -25.25 77.66 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.619 2.213 . . . . 0.0 112.303 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -82.88 -40.38 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' CB ' ' CG ' ' A' ' 36' ' ' GLU . . . -89.6 112.0 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -82.9 140.95 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.4 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.59 100.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.655 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 t -55.01 160.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -112.27 169.55 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.61 -167.11 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -57.65 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -98.26 20.32 12.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.221 0.534 . . . . 0.0 111.268 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.43 28.74 18.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.32 -35.64 82.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.38 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.15 168.14 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.746 0.308 . . . . 0.0 110.744 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.25 165.45 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -155.2 134.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.6 t -96.11 111.51 56.61 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.81 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.31 -22.21 11.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.581 2.187 . . . . 0.0 112.932 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 17.1 mm-40 -81.41 -83.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.566 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.1 p -66.66 -23.75 66.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.88 50.26 14.22 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.191 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.35 171.55 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.27 112.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.245 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -92.93 124.83 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.8 71.36 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.552 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -94.4 144.41 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -149.77 170.43 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.69 141.88 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.95 52.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 62.6 121.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.7 t 62.18 -80.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.8 -130.9 10.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 p 63.27 138.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -45.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -89.23 162.7 15.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 54' ' ' THR . 12.6 mtp-105 -142.18 178.02 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 53' ' ' ARG . 7.9 t 51.22 171.28 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -157.15 133.46 9.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.18 165.89 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.8 -33.75 8.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.53 132.55 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 60.4 109.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 t -115.75 146.5 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -97.35 39.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.94 -57.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.03 171.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.51 140.3 49.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.51 47.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.04 57.59 30.93 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.26 179.91 3.62 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.543 2.162 . . . . 0.0 112.324 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.29 69.37 0.22 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -157.36 134.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 p 57.86 163.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 43.9 t -68.1 135.07 91.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.07 -24.81 59.23 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.491 2.127 . . . . 0.0 112.528 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -112.35 -9.38 13.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.554 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.6 m80 -129.36 81.82 69.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.713 0.292 . . . . 0.0 111.065 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.55 -32.32 48.88 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.547 2.165 . . . . 0.0 112.223 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.18 -39.68 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.09 105.98 16.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.61 138.49 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mp -53.09 110.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.21 160.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.91 151.44 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.59 136.08 20.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 111.193 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.7 t80 57.43 77.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.62 22.83 7.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 111.328 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.57 29.67 4.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.079 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.57 -28.41 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.333 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -132.48 132.91 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.4 mtt -96.08 162.3 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -164.14 116.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 t -90.22 113.84 58.81 Favored Pre-proline 0 CA--C 1.528 0.126 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.39 -19.89 45.69 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.479 2.12 . . . . 0.0 112.486 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -72.36 -78.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 5.9 p -72.68 -29.2 63.21 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.378 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.7 53.84 4.83 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.302 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -114.23 160.73 18.7 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.03 119.14 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.531 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 35.8 t -115.53 80.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.75 -67.78 1.98 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.587 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -177.98 161.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.706 0.289 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -127.37 97.69 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.73 32.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.46 70.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 61.4 3.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 89.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.89 -175.57 27.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m 60.64 88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -155.41 92.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -123.07 156.03 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 60.97 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -91.0 -76.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 65.57 -75.1 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -56.21 169.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.06 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.51 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 tttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -85.06 113.45 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.2 p -95.58 -58.86 2.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -149.69 64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.86 -171.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 130.67 50.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.2 108.83 10.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 99.54 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.4 mt 59.77 82.06 0.24 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.98 60.58 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.841 2.361 . . . . 0.0 112.411 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 46.37 31.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.381 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.9 m -67.71 115.52 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.05 159.72 23.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.3 t -58.17 135.3 84.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.17 -30.27 38.2 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.461 2.107 . . . . 0.0 112.434 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -103.51 -6.21 22.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.524 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 31.6 m80 -132.81 90.51 32.03 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.645 0.26 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.93 -26.02 44.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.367 2.044 . . . . 0.0 112.221 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.32 -48.64 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.05 113.84 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.6 pt -89.96 132.86 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' CD2' ' CG2' ' A' ' 41' ' ' VAL . 1.4 mp -58.67 104.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t -50.16 161.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -126.73 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.984 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.99 64.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' CD2' HG23 ' A' ' 33' ' ' ILE . 1.1 t80 -90.84 -36.07 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -161.87 108.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.47 29.18 13.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.288 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.39 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.617 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -147.39 152.74 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 mtt -102.69 152.42 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -161.08 140.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.398 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.415 ' N ' HG13 ' A' ' 33' ' ' ILE . 38.2 t -102.71 101.54 21.22 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.248 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -48.73 -24.76 7.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.737 2.291 . . . . 0.0 112.671 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 10.9 tp10 -66.24 -72.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -80.61 -45.93 16.51 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.967 0.413 . . . . 0.0 110.339 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.93 46.52 1.36 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.415 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -98.74 166.31 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.711 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 t -135.28 115.4 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.439 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 21.7 t -106.7 130.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.966 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.93 139.04 24.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.24 -31.56 55.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.06 106.71 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.04 131.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.74 80.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.25 131.64 47.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 p -168.69 111.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.15 -158.06 27.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -162.81 -44.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -114.01 22.94 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -111.07 89.56 3.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -130.24 -42.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.4 p -74.01 131.09 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -90.2 179.2 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -141.99 129.97 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -127.71 88.79 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.44 168.35 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -134.61 98.1 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -108.7 -47.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 m 59.15 -169.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -136.7 101.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -148.04 178.84 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -148.35 106.47 3.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.81 151.69 19.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -153.33 145.78 17.26 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.875 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -81.74 66.59 8.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.18 101.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 12' ' ' ARG . 8.8 p 51.67 159.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.048 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.84 168.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.235 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 17.1 t -91.07 140.09 25.87 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.537 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.39 -41.19 78.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.43 2.087 . . . . 0.0 112.602 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -102.46 -2.05 29.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 37.5 m80 -136.08 78.92 45.61 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.77 -24.76 46.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -78.18 -46.07 21.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.3 111.35 23.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.56 151.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.457 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' CG2' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -67.24 110.19 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.808 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.4 160.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -120.21 133.4 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.249 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 43.31 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.768 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.41 -70.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.33 20.66 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.91 -42.87 0.09 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.76 -47.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.93 174.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -86.63 159.02 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -156.9 134.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.127 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 t -88.46 134.66 33.87 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.801 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.78 -1.1 11.2 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.38 2.054 . . . . 0.0 112.643 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 23.2 mm-40 -109.17 -76.95 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.106 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.51 -17.82 63.63 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.971 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 49.27 57.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.976 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -93.1 172.28 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.609 0.243 . . . . 0.0 110.563 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -141.47 110.85 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 ' CG2' ' CD2' ' A' ' 23' ' ' LEU . 21.7 t -92.07 121.01 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 167.04 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.61 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.17 175.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mmm-85 63.6 139.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t 51.82 64.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.5 mm -139.27 32.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.08 149.9 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.2 -31.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.75 -93.14 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -86.55 160.35 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.28 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -67.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 174.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.8 m -154.13 140.2 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -79.51 89.59 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.5 t -172.99 151.75 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.06 34.85 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.31 117.74 23.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -162.48 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.0 p -129.54 169.7 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -135.87 124.25 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 60.44 85.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -142.54 160.72 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.48 178.18 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.77 36.97 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -81.01 153.94 72.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.92 99.35 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.573 2.182 . . . . 0.0 112.216 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.98 77.98 9.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.08 155.07 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 p 54.83 -165.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.3 t -109.52 135.76 20.31 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.72 -28.08 68.58 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.45 2.1 . . . . 0.0 112.29 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.89 -9.45 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.8 m80 -130.95 75.2 78.97 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.8 -22.34 73.31 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.44 2.093 . . . . 0.0 112.104 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.53 27.23 7.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.86 99.35 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -79.37 115.32 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.52 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 32' ' ' MET . 6.3 mp -57.55 157.7 6.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.211 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.87 152.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.219 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.82 120.3 23.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.71 -178.99 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -101.38 38.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -151.53 103.17 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.91 21.06 11.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.308 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.03 31.19 39.68 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.819 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.02 142.55 52.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 3.3 mtt -88.83 131.88 34.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.75 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -111.47 126.27 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.246 -179.709 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 44.3 t -90.91 113.2 57.25 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.234 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.88 -22.2 13.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.489 2.126 . . . . 0.0 112.903 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 80.6 mm-40 -81.76 -84.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.432 -179.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.2 p -68.79 -22.81 64.25 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.675 0.274 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 74.15 56.42 5.24 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.616 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.75 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.1 171.84 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -179.827 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.44 68.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 40.0 t -121.64 114.83 44.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.75 80.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.24 159.11 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.747 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 130.05 38.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.76 144.7 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 tt -94.41 51.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.32 167.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -108.99 138.57 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.94 -28.38 60.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 94.4 p -88.37 99.12 12.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -31.81 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -124.45 30.74 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.9 113.5 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -173.86 60.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 60.13 74.88 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -113.3 141.03 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -99.22 -40.1 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 128.01 44.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.97 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -106.51 150.48 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 m -135.39 158.98 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -151.41 169.92 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -87.3 95.59 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.4 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.68 142.72 28.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.6 149.99 0.93 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.76 158.0 6.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.05 162.06 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.05 142.15 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.67 166.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 40.8 t -71.39 138.97 83.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.33 -35.21 85.24 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.523 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -105.43 -6.17 19.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.868 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.1 m80 -130.47 80.8 69.56 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -63.81 -46.25 9.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.36 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.062 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.4 123.48 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.105 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.31 139.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -58.14 116.8 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 t -57.77 160.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.711 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.54 106.34 16.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.25 142.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -177.03 102.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 64.96 21.43 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 110.938 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 75.96 51.51 0.06 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.989 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.77 20.34 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.845 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.24 -154.88 0.35 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.712 0.256 . . . . 0.0 110.77 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.5 116.26 13.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -120.1 138.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.41 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 21.0 t -86.11 134.7 38.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.82 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.02 -1.39 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.285 1.99 . . . . 0.0 112.531 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 5.5 mm-40 -110.28 -77.79 0.59 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.098 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 22.6 p -69.66 -12.95 62.04 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.43 54.41 38.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.962 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -99.4 172.22 7.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.63 -179.727 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -134.7 113.52 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.319 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 22.7 t -102.59 110.37 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.803 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 164.3 53.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.69 -34.61 75.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -105.67 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 t -140.62 31.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.4 mm 58.55 160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 72.18 161.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.85 179.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.294 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.22 -162.28 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.433 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.12 164.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.338 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -106.66 120.03 40.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -72.89 146.9 45.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -118.82 175.88 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -72.52 160.16 32.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.77 74.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -159.55 108.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -79.78 -56.8 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.5 149.81 47.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.8 -55.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -107.12 -42.43 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -103.49 110.29 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -123.68 32.53 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.49 122.55 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.49 153.33 44.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.57 54.35 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.1 tp -71.83 -53.61 6.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 10' ' ' LEU . 68.6 Cg_endo -75.12 70.33 5.4 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.357 -179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.49 166.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.9 t -92.29 159.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.4 p -125.91 150.69 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.3 t -62.65 135.77 95.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.75 -22.65 69.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.457 2.104 . . . . 0.0 112.59 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -115.99 -10.69 11.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.643 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 31.2 m80 -125.08 86.31 56.92 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.646 0.26 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.77 -27.98 25.74 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.517 2.145 . . . . 0.0 112.162 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.76 -69.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.56 110.92 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 pt -81.2 156.18 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.472 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' A' ' 34' ' ' CYS . 1.1 mp -75.53 109.39 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.804 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 32' ' ' MET . 6.4 t -57.04 157.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -102.11 105.76 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.664 -179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 61.48 90.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.51 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -100.77 54.39 0.86 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.074 179.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.29 110.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.816 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.0 33.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.001 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.94 7.46 3.24 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.364 -0.922 . . . . 0.0 113.513 -179.591 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 52.01 -154.62 0.18 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.169 0.485 . . . . 0.0 110.662 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 25.5 mtt -79.58 117.66 20.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.585 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 2.2 pp -123.65 162.01 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 44.3 t -105.64 128.47 26.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.434 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.45 -7.12 20.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.166 1.911 . . . . 0.0 112.795 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -101.21 -79.51 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.268 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 15.7 p -68.21 -23.69 64.85 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 72.01 54.88 7.64 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.096 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -101.88 175.76 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 t -141.63 109.29 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.889 -179.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.436 ' CG2' ' CD1' ' A' ' 39' ' ' LEU . 38.7 t -102.58 135.14 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.651 179.211 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.18 24.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -92.96 -35.05 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.69 57.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -64.9 148.82 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.02 33.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.056 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -107.48 171.26 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.6 144.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -168.58 -118.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.06 173.54 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -98.23 -33.39 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -82.44 -50.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -78.35 75.48 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.1 p -147.4 -46.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -142.52 168.54 19.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.35 96.23 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.95 -27.61 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.55 -75.89 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.507 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.984 0.421 . . . . 0.0 111.217 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 23' ' ' LEU . 20.3 t -84.09 132.32 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.665 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 48.9 Cg_exo -55.83 -37.27 95.96 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.48 2.12 . . . . 0.0 112.542 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -102.11 11.36 38.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.665 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.688 ' CD2' ' HB2' ' A' ' 36' ' ' GLU . 72.4 m-70 -153.09 89.15 3.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' O ' HG21 ' A' ' 14' ' ' THR . 54.9 Cg_endo -69.99 -46.32 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.195 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.23 -38.32 90.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.829 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -93.49 122.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG1' HG23 ' A' ' 14' ' ' THR . 2.9 mt -104.6 134.76 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.314 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.894 HD11 HD21 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -59.18 112.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.744 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.904 HG22 HG22 ' A' ' 40' ' ' VAL . 1.9 pp . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 120.819 0.342 . . . . 0.0 111.737 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -100.44 136.51 19.96 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.829 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.3 Cg_endo -75.66 1.82 7.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 0.0 113.121 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.688 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 60.6 mm-40 -115.09 -77.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.029 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD23 ' A' ' 39' ' ' LEU . 19.6 p -68.39 -13.33 62.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.899 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 54.1 39.75 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.115 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.894 HD21 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -97.68 178.75 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.531 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG22 HG22 ' A' ' 33' ' ' ILE . 25.1 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.064 HG22 HG22 ' A' ' 22' ' ' ILE . 1.6 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.824 0.345 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.6 t -59.77 134.32 89.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.756 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.14 -20.76 49.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.444 2.096 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -114.79 -13.24 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.535 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.3 m80 -124.61 87.41 54.58 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.36 -41.56 20.39 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.604 2.203 . . . . 0.0 111.903 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -92.26 40.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -155.08 63.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.064 HG22 HG22 ' A' ' 14' ' ' THR . 24.0 pt -57.08 132.56 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -62.6 114.24 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.558 0.218 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.4 t -89.37 115.37 63.57 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.545 0.212 . . . . 0.0 110.765 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 16.3 Cg_endo -57.63 -19.16 36.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.394 2.063 . . . . 0.0 112.613 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -79.54 -83.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.036 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.703 ' SG ' HD23 ' A' ' 39' ' ' LEU . 8.0 p -67.39 -40.18 85.64 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.693 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 88.27 63.42 1.37 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.45 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.703 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -123.64 162.69 22.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 40' ' ' VAL . 14.6 p . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.883 0.373 . . . . 0.0 111.517 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.1 t -89.56 136.18 29.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.52 -26.38 62.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.432 2.088 . . . . 0.0 112.61 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -111.04 -9.54 14.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.718 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 33.0 m80 -127.61 83.48 65.95 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.2 -27.78 41.02 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.497 2.131 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -99.56 31.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -152.92 80.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tt -66.79 130.57 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.585 HD21 ' HG ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -61.55 113.04 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.823 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.727 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.587 0.232 . . . . 0.0 111.184 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 48.4 t -93.78 117.83 67.3 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.581 0.229 . . . . 0.0 111.089 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.63 -19.76 25.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.353 2.036 . . . . 0.0 112.691 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 10.9 mm-40 -87.99 -83.3 0.21 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.566 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 39' ' ' LEU . 24.6 p -69.61 -13.44 62.32 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.593 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 60.09 56.64 23.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.92 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -104.22 177.75 4.76 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' CD1' ' A' ' 22' ' ' ILE . 1.3 p . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.88 0.371 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.6 t -94.49 136.7 23.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.747 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.13 -33.45 61.22 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.488 2.126 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.64 -5.31 23.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.908 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.7 m80 -136.96 71.39 56.15 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.31 -57.94 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.438 2.092 . . . . 0.0 112.035 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.59 -40.08 90.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -82.6 88.06 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -78.72 137.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD23 ' CA ' ' A' ' 33' ' ' ILE . 5.0 mp -55.05 -178.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.745 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.905 ' CD1' HG22 ' A' ' 40' ' ' VAL . 32.9 mm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 45.0 t -91.18 130.93 38.27 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.59 0.233 . . . . 0.0 110.528 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.34 2.39 7.76 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.339 2.026 . . . . 0.0 113.044 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 8.1 mm-40 -108.9 -58.45 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.582 0.23 . . . . 0.0 111.016 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.713 ' SG ' HD23 ' A' ' 39' ' ' LEU . 25.4 p -97.18 -16.56 20.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.488 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.71 53.56 23.32 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.668 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.713 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -105.33 168.7 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 33' ' ' ILE . 22.0 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.331 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.4 ' CG2' HG12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.924 0.392 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.2 t -86.61 135.9 35.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.78 -30.9 33.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.378 2.052 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.97 -6.11 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 34.8 m80 -134.57 75.94 62.21 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 -24.51 30.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.506 2.137 . . . . 0.0 112.414 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -72.96 -33.23 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 14' ' ' THR . 3.6 mt -128.21 141.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.11 107.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.49 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.615 0.245 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -99.08 107.46 44.29 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.7 -23.19 14.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.378 2.052 . . . . 0.0 112.532 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 6.3 mm-40 -75.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.841 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.1 p -75.54 -38.59 59.22 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 92.75 49.15 2.78 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.834 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' SG ' ' A' ' 37' ' ' CYS . 1.3 pp -100.43 -178.3 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.797 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.607 ' N ' HD12 ' A' ' 39' ' ' LEU . 18.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 52.1 t -82.39 135.91 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.96 -29.68 57.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.399 2.066 . . . . 0.0 112.392 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.79 -8.26 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.514 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.4 m80 -131.31 77.56 73.91 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.662 0.268 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.67 -32.27 30.87 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.455 2.103 . . . . 0.0 112.205 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.41 -30.59 66.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.7 179.87 5.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.5 tt -147.37 124.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -66.95 105.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.897 ' CD1' HG22 ' A' ' 40' ' ' VAL . 30.2 mm . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.548 0.213 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 49.7 t -95.91 122.7 57.8 Favored Pre-proline 0 C--N 1.333 -0.15 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.0 -10.34 25.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.189 1.926 . . . . 0.0 112.933 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mm-40 -96.05 -77.39 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.285 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' HD23 ' A' ' 39' ' ' LEU . 20.3 p -73.5 -19.02 61.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.4 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.25 52.16 33.47 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.587 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.49 174.96 5.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.548 0.213 . . . . 0.0 110.468 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.897 HG22 ' CD1' ' A' ' 33' ' ' ILE . 11.9 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.306 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.857 0.361 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.8 t -96.55 139.66 21.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.64 -36.66 91.63 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.719 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -105.92 -4.69 20.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.869 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.9 m80 -132.21 79.19 66.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.75 -28.15 37.21 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.81 -69.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.745 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -76.45 119.06 19.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.3 149.66 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.234 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD21 HD21 ' A' ' 39' ' ' LEU . 7.8 mp -58.32 133.91 56.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.749 HG22 HG22 ' A' ' 40' ' ' VAL . 1.7 pp . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.541 0.21 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HB2' HD23 ' A' ' 39' ' ' LEU . 27.7 t -94.67 134.63 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.745 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.3 Cg_endo -74.28 -3.26 13.53 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.372 2.048 . . . . 0.0 112.699 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 16.0 mm-40 -110.24 -78.0 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 23.8 p -68.68 -21.62 64.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.005 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 73.09 55.34 6.36 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.056 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 40' ' ' VAL . 1.1 pp -93.23 -179.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.815 ' N ' HD12 ' A' ' 39' ' ' LEU . 29.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.314 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.8 t -97.34 137.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 25.4 Cg_exo -62.58 -27.31 76.39 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.552 2.168 . . . . 0.0 112.527 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.01 -10.77 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.673 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.667 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.6 m80 -127.26 73.6 77.32 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -56.75 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.624 2.216 . . . . 0.0 112.18 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.14 -41.43 96.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -87.51 76.5 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.9 mt -71.37 142.47 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 HD21 ' A' ' 39' ' ' LEU . 10.8 mp -47.93 169.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.654 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.815 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.616 0.246 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 33' ' ' ILE . 39.5 t -90.28 119.73 69.18 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.49 -13.83 31.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.572 2.182 . . . . 0.0 113.149 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 62.3 mm-40 -92.0 -81.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.269 -0.172 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.595 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.3 p -66.07 -27.86 68.4 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.721 0.295 . . . . 0.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.89 47.96 8.15 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.941 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 HD21 HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -94.0 172.43 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.2 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.329 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 19.2 t -76.98 127.2 84.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.68 -25.76 69.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.416 2.077 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.98 -20.63 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.309 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 37.3 m80 -121.19 73.71 27.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.02 -38.47 16.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.591 2.194 . . . . 0.0 112.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.9 -31.8 70.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.716 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . . . -100.78 131.97 46.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.58 135.15 42.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 6.5 mp -56.54 112.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.699 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.59 0.233 . . . . 0.0 111.171 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 16.2 t -87.85 113.09 53.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.387 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 12.8 Cg_endo -56.69 -21.75 40.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -70.39 -71.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.672 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.1 p -87.64 -45.46 10.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 110.804 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.56 53.31 0.99 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.401 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.66 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.84 167.9 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.009 0.433 . . . . 0.0 111.948 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.863 0.363 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.6 t -101.34 136.72 19.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.69 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -33.4 63.18 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.407 2.072 . . . . 0.0 112.495 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -103.03 -4.9 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.9 m80 -137.75 73.26 47.66 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.752 0.311 . . . . 0.0 110.742 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.47 -23.6 43.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.277 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.32 -39.14 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 149.67 21.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.67 136.11 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.069 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.779 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -58.89 100.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.599 0.238 . . . . 0.0 111.086 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' HG13 ' A' ' 33' ' ' ILE . 45.3 t -96.91 108.87 46.06 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.17 -23.98 14.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.583 2.188 . . . . 0.0 112.951 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 20.2 mm-40 -74.09 -80.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.687 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.2 p -72.66 -41.91 64.91 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.589 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.84 51.68 1.91 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.158 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.779 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.59 172.42 6.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 33' ' ' ILE . 21.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 111.299 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.909 0.385 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' LEU . 15.0 t -107.32 140.12 21.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.0 -41.46 76.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.578 2.185 . . . . 0.0 112.793 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.4 -3.68 26.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.882 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.673 ' CD2' ' HB3' ' A' ' 36' ' ' GLU . 79.7 m-70 -131.78 86.06 49.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.673 0.273 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.82 -26.58 59.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.557 2.171 . . . . 0.0 112.12 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -41.51 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.705 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -65.67 171.38 4.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 108.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.309 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.072 HD11 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -58.4 98.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.517 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.18 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.688 0.28 . . . . 0.0 111.207 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 53.9 t -96.22 118.53 65.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 26.8 Cg_endo -62.17 -12.17 25.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.929 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.673 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 6.8 tp10 -89.99 -75.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.43 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.7 ' SG ' HD23 ' A' ' 39' ' ' LEU . 9.0 p -74.64 -24.13 58.78 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.66 45.38 17.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.114 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.072 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -93.8 170.19 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.643 0.258 . . . . 0.0 110.467 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.0 t -74.34 136.0 75.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.689 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.51 -29.04 53.27 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.491 2.127 . . . . 0.0 112.541 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.78 -7.52 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.544 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.729 ' CD2' ' HB3' ' A' ' 36' ' ' GLU . 74.4 m-70 -130.04 86.52 54.24 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.712 0.291 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -20.05 33.77 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.546 2.164 . . . . 0.0 112.245 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.31 24.99 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.35 153.47 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.87 128.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.234 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -57.31 102.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.33 -179.717 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.678 0.275 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 21.7 t -99.94 105.43 34.9 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.502 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.05 -24.84 8.13 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.507 2.138 . . . . 0.0 112.61 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.729 ' HB3' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -68.38 -77.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.8 p -77.74 -43.04 32.13 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.97 0.414 . . . . 0.0 110.346 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 52.41 1.43 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -106.76 166.96 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 33' ' ' ILE . 18.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.524 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 22' ' ' ILE . 1.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.5 t -71.51 135.77 83.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.804 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.62 -25.92 61.75 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.442 2.095 . . . . 0.0 112.452 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.85 -13.7 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m80 -121.71 83.8 42.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.39 -28.97 54.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.403 2.068 . . . . 0.0 111.935 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -79.06 -45.41 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.78 ' O ' HD13 ' A' ' 22' ' ' ILE . . . -71.35 166.89 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.78 HD13 ' O ' ' A' ' 21' ' ' ALA . 24.4 mm -139.91 122.97 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 39' ' ' LEU . 10.7 mp -57.9 119.63 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.578 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.101 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 39' ' ' LEU . 1.8 pp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.593 0.235 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.2 t -97.52 127.79 36.7 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.85 58.23 5.97 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.097 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 25.8 tp10 -167.33 -70.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.319 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -82.47 -25.37 33.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.897 0.379 . . . . 0.0 110.025 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.44 53.89 4.91 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.651 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.75 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -100.0 169.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 33' ' ' ILE . 21.3 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.467 HG22 HG13 ' A' ' 22' ' ' ILE . 24.8 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.6 t -75.84 134.86 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.99 -23.4 46.76 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.356 2.037 . . . . 0.0 112.432 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -110.41 -20.13 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 35.9 m80 -117.44 72.58 7.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.19 -29.5 47.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.47 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.75 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -81.41 111.29 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.467 HG13 HG22 ' A' ' 14' ' ' THR . 5.1 tt -80.71 139.04 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 39' ' ' LEU . 4.0 mp -58.1 106.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.001 HD12 HG22 ' A' ' 40' ' ' VAL . 41.5 mm . . . . . 0 C--O 1.227 -0.089 0 CA-C-O 120.594 0.235 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 34.3 t -96.33 109.63 48.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.59 -21.72 15.12 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.75 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 3.1 mm-40 -81.35 -82.93 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.295 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.6 p -69.67 -30.59 68.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 82.15 49.41 5.29 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.609 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -94.88 175.49 6.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.001 HG22 HD12 ' A' ' 33' ' ' ILE . 21.2 t . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.549 HG22 HG13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.712 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.6 t -60.23 134.93 90.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.03 -25.43 51.55 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.494 2.13 . . . . 0.0 112.497 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -9.26 14.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.2 m80 -129.21 80.37 72.58 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.758 0.313 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.97 -43.67 6.33 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.6 2.2 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -94.21 84.32 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.549 HG13 HG22 ' A' ' 14' ' ' THR . 14.9 tt -67.2 142.68 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.186 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD21 HD11 ' A' ' 39' ' ' LEU . 6.8 mp -54.41 152.42 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.756 HG23 ' HD3' ' A' ' 35' ' ' PRO . 17.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.808 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.626 0.251 . . . . 0.0 111.447 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.808 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -90.03 118.12 68.63 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.627 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.756 ' HD3' HG23 ' A' ' 24' ' ' VAL . 16.3 Cg_endo -57.56 -17.04 26.36 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 113.289 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -90.0 -81.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.434 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.43 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 21.1 p -67.77 -25.56 65.68 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.206 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.43 48.38 8.16 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.77 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -89.01 174.58 7.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.538 0.208 . . . . 0.0 110.564 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' N ' HD12 ' A' ' 39' ' ' LEU . 33.4 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.139 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.007 HG23 HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.5 t -57.36 135.54 81.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.09 -28.34 48.98 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.669 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -106.43 -10.47 16.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.54 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.78 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 30.3 m80 -126.19 85.82 59.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.052 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 -36.88 9.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.528 2.152 . . . . 0.0 111.98 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 6.0 38.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.78 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -137.59 83.15 1.97 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.74 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.007 HD12 HG23 ' A' ' 14' ' ' THR . 1.7 tt -67.81 137.08 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -55.25 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 35' ' ' PRO . 16.6 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.522 0.201 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.871 ' N ' HD13 ' A' ' 33' ' ' ILE . 45.2 t -87.47 123.57 69.37 Favored Pre-proline 0 C--N 1.334 -0.105 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HD3' HG23 ' A' ' 24' ' ' VAL . 46.8 Cg_endo -68.57 -4.94 14.07 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.458 2.105 . . . . 0.0 112.967 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 22.2 tp10 -100.47 -71.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.41 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.767 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.0 p -78.16 -27.32 48.08 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.927 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 79.83 46.55 7.73 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.517 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -95.62 176.49 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.59 0.233 . . . . 0.0 110.831 -179.542 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.541 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.2 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.294 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 23' ' ' LEU . 10.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 54.1 t -121.46 131.5 24.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.77 -29.27 70.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 18' ' ' HIS . 5.9 p-10 -110.99 -8.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.678 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 38.1 m80 -133.75 71.28 74.87 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.23 -51.62 7.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.472 2.115 . . . . 0.0 112.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -43.62 75.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -90.01 109.21 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.32 139.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.552 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -61.52 109.59 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.68 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.608 HG23 ' HD3' ' A' ' 35' ' ' PRO . 20.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.614 0.245 . . . . 0.0 111.27 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.709 ' N ' HD13 ' A' ' 33' ' ' ILE . 53.8 t -90.56 112.28 52.23 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.588 0.232 . . . . 0.0 110.794 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 24' ' ' VAL . 54.0 Cg_exo -52.15 -21.38 12.71 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.908 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.2 mm-40 -82.14 -84.4 0.12 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.362 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' HD23 ' A' ' 39' ' ' LEU . 10.3 p -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 50.86 5.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.096 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.87 170.13 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.358 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.939 0.4 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.3 t -96.9 138.29 21.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.646 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 43.1 Cg_exo -56.78 -31.97 90.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.553 2.169 . . . . 0.0 112.743 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -112.96 -6.89 13.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.833 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.8 m80 -128.38 78.7 75.28 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.82 -23.16 41.91 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.477 2.118 . . . . 0.0 112.256 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.83 -31.1 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' HIS . . . -60.65 -172.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.42 91.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -63.47 78.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 179.782 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.456 -179.76 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.545 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.658 0.266 . . . . 0.0 111.251 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' LEU . 29.2 t -97.11 113.98 63.96 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 11.2 Cg_endo -54.92 -21.23 25.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.309 2.006 . . . . 0.0 112.325 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -76.73 -79.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.701 ' SG ' HD23 ' A' ' 39' ' ' LEU . 13.5 p -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.637 0.256 . . . . 0.0 111.328 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 75.2 44.1 23.87 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.675 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.701 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -89.77 174.71 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.611 0.243 . . . . 0.0 110.481 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.5 t -107.67 138.24 19.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.47 -43.48 27.47 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.568 2.179 . . . . 0.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -4.55 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 39.2 m80 -140.27 74.12 30.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.731 0.301 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.97 -25.25 77.66 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.619 2.213 . . . . 0.0 112.303 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -82.88 -40.38 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.6 112.0 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -82.9 140.95 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.4 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.906 HD11 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.59 100.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.655 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.995 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.659 0.266 . . . . 0.0 111.14 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.6 t -96.11 111.51 56.61 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.81 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.31 -22.21 11.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.581 2.187 . . . . 0.0 112.932 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 17.1 mm-40 -81.41 -83.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.566 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.1 p -66.66 -23.75 66.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.88 50.26 14.22 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.191 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -97.35 171.55 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.245 -179.898 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.845 ' HA ' HG23 ' A' ' 22' ' ' ILE . 7.2 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.947 0.404 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 43.9 t -68.1 135.07 91.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.07 -24.81 59.23 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.491 2.127 . . . . 0.0 112.528 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -112.35 -9.38 13.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.554 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.6 m80 -129.36 81.82 69.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.713 0.292 . . . . 0.0 111.065 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.55 -32.32 48.88 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.547 2.165 . . . . 0.0 112.223 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.18 -39.68 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.09 105.98 16.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.845 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.4 mp -83.61 138.49 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 15' ' ' CYS . 4.9 mp -53.09 110.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.601 HG23 ' HD3' ' A' ' 35' ' ' PRO . 21.3 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.568 HD13 ' C ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.653 0.264 . . . . 0.0 111.188 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' N ' HD13 ' A' ' 33' ' ' ILE . 20.0 t -90.22 113.84 58.81 Favored Pre-proline 0 CA--C 1.528 0.126 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.601 ' HD3' HG23 ' A' ' 24' ' ' VAL . 19.0 Cg_endo -58.39 -19.89 45.69 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.479 2.12 . . . . 0.0 112.486 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -72.36 -78.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.764 ' SG ' HD23 ' A' ' 39' ' ' LEU . 5.9 p -72.68 -29.2 63.21 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.378 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.7 53.84 4.83 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.302 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.764 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -114.23 160.73 18.7 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.3 p . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.531 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.028 HG22 HG22 ' A' ' 22' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' LEU . 53.3 t -58.17 135.3 84.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.17 -30.27 38.2 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.461 2.107 . . . . 0.0 112.434 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -103.51 -6.21 22.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.524 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 31.6 m80 -132.81 90.51 32.03 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.645 0.26 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.93 -26.02 44.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.367 2.044 . . . . 0.0 112.221 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.32 -48.64 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -78.05 113.84 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.028 HG22 HG22 ' A' ' 14' ' ' THR . 10.6 pt -89.96 132.86 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mp -58.67 104.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.078 179.987 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.822 HD12 HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 111.398 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' ILE . 38.2 t -102.71 101.54 21.22 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.248 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 5.9 Cg_endo -48.73 -24.76 7.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.737 2.291 . . . . 0.0 112.671 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 10.9 tp10 -66.24 -72.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.5 p -80.61 -45.93 16.51 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.967 0.413 . . . . 0.0 110.339 179.242 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.93 46.52 1.36 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.415 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.74 166.31 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.711 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HD12 ' A' ' 33' ' ' ILE . 13.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.439 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.504 HG23 HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.235 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 23' ' ' LEU . 17.1 t -91.07 140.09 25.87 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.537 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.39 -41.19 78.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.43 2.087 . . . . 0.0 112.602 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -102.46 -2.05 29.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.672 ' CD2' ' HB2' ' A' ' 36' ' ' GLU . 86.3 m-70 -136.08 78.92 45.61 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.77 -24.76 46.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -78.18 -46.07 21.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -100.3 111.35 23.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 14' ' ' THR . 1.2 pt -77.56 151.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.457 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -67.24 110.19 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.808 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.668 0.27 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 t -88.46 134.66 33.87 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.801 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.7 Cg_endo -76.78 -1.1 11.2 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.38 2.054 . . . . 0.0 112.643 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.672 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 23.2 mm-40 -109.17 -76.95 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.106 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.7 p -69.51 -17.82 63.63 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.971 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 49.27 57.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.976 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.818 HD11 HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.1 172.28 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.609 0.243 . . . . 0.0 110.563 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 33' ' ' ILE . 20.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.798 0.332 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.3 t -109.52 135.76 20.31 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.72 -28.08 68.58 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.45 2.1 . . . . 0.0 112.29 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.89 -9.45 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.8 m80 -130.95 75.2 78.97 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.8 -22.34 73.31 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.44 2.093 . . . . 0.0 112.104 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.53 27.23 7.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -136.86 99.35 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -79.37 115.32 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.52 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HD21 ' A' ' 39' ' ' LEU . 6.3 mp -57.55 157.7 6.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.211 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.219 -179.792 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.758 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.624 0.25 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.624 ' N ' HD13 ' A' ' 33' ' ' ILE . 44.3 t -90.91 113.2 57.25 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.234 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.88 -22.2 13.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.489 2.126 . . . . 0.0 112.903 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 80.6 mm-40 -81.76 -84.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.432 -179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.2 p -68.79 -22.81 64.25 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.675 0.274 . . . . 0.0 111.119 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 74.15 56.42 5.24 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.616 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.758 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.1 171.84 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -179.827 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' HB2' HD12 ' A' ' 23' ' ' LEU . 40.8 t -71.39 138.97 83.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 33.0 Cg_exo -61.33 -35.21 85.24 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.523 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -105.43 -6.17 19.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.868 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 36' ' ' GLU . 80.0 m-70 -130.47 80.8 69.56 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -63.81 -46.25 9.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.36 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.062 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -87.4 123.48 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.31 139.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.14 116.8 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.711 179.574 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.623 0.249 . . . . 0.0 111.41 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 21.0 t -86.11 134.7 38.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.82 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.1 Cg_endo -76.02 -1.39 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.285 1.99 . . . . 0.0 112.531 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.652 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 5.5 mm-40 -110.28 -77.79 0.59 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.098 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' HD23 ' A' ' 39' ' ' LEU . 22.6 p -69.66 -12.95 62.04 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.43 54.41 38.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.962 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -99.4 172.22 7.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.63 -179.727 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.554 ' N ' HD12 ' A' ' 39' ' ' LEU . 28.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.319 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.899 HG22 HG22 ' A' ' 22' ' ' ILE . 38.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 23' ' ' LEU . 42.3 t -62.65 135.77 95.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.75 -22.65 69.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.457 2.104 . . . . 0.0 112.59 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -115.99 -10.69 11.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.643 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 31.2 m80 -125.08 86.31 56.92 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.646 0.26 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.77 -27.98 25.74 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.517 2.145 . . . . 0.0 112.162 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.76 -69.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -78.56 110.92 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 14' ' ' THR . 10.7 pt -81.2 156.18 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.472 -179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mp -75.53 109.39 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.804 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.33 -0.252 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 179.348 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 HG22 ' A' ' 40' ' ' VAL . 2.2 pp . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.428 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 44.3 t -105.64 128.47 26.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.434 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.902 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 53.0 Cg_endo -69.45 -7.12 20.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.166 1.911 . . . . 0.0 112.795 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.837 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 7.6 mm-40 -101.21 -79.51 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.268 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.7 p -68.21 -23.69 64.85 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 72.01 54.88 7.64 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.096 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -101.88 175.76 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.819 HG22 HG22 ' A' ' 33' ' ' ILE . 16.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.889 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -67.82 -30.56 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 p -59.31 -31.26 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -91.79 112.78 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -71.96 -60.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.44 125.02 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -110.94 -30.0 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 80.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -77.45 -61.03 0.68 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 10' ' ' LEU . 63.9 Cg_endo -73.74 130.92 15.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.434 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -93.1 118.52 31.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.6 m -72.92 101.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.507 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 61.67 177.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 23' ' ' LEU . 20.3 t -84.09 132.32 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.665 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 48.9 Cg_exo -55.83 -37.27 95.96 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.48 2.12 . . . . 0.0 112.542 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 73.3 m-20 -102.11 11.36 38.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.665 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.1 m80 -153.09 89.15 3.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' O ' HG21 ' A' ' 14' ' ' THR . 54.9 Cg_endo -69.99 -46.32 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.195 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.23 -38.32 90.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.829 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -93.49 122.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG1' HG23 ' A' ' 14' ' ' THR . 2.9 mt -104.6 134.76 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.314 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.894 HD11 HD21 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -59.18 112.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 32' ' ' MET . 6.5 t -75.75 157.71 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 24' ' ' VAL . 63.4 tt0 -123.17 145.25 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -81.24 -164.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.48 -29.25 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.528 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.1 OUTLIER 172.04 122.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.205 0.526 . . . . 0.0 110.406 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 75.52 27.67 1.01 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 26' ' ' ASP . . . -118.55 -16.06 5.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.77 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.48 -173.05 0.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.502 ' O ' HD23 ' A' ' 23' ' ' LEU . 26.2 mtm -117.32 118.31 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.904 HG22 HG22 ' A' ' 40' ' ' VAL . 1.9 pp -111.21 155.91 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.819 0.342 . . . . 0.0 111.737 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -100.44 136.51 19.96 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.829 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.3 Cg_endo -75.66 1.82 7.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 0.0 113.121 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 60.6 mm-40 -115.09 -77.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.029 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD23 ' A' ' 39' ' ' LEU . 19.6 p -68.39 -13.33 62.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.899 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 54.1 39.75 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.115 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.894 HD21 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -97.68 178.75 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.531 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG22 HG22 ' A' ' 33' ' ' ILE . 25.1 t -146.27 92.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 23' ' ' LEU . 14.9 p -98.53 130.75 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.24 65.48 1.02 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -88.17 -31.54 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.15 169.82 16.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.42 102.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 46' ' ' ILE . 1.4 tt -59.64 93.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.62 91.45 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.88 82.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.59 92.97 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.54 33.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' ARG . 7.6 mm-40 -126.05 11.27 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 66.96 -66.26 0.19 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.762 0.315 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER 68.26 86.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 m -157.71 166.65 32.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -90.12 59.71 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.8 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m 62.62 148.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.52 156.4 38.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -87.48 -32.27 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -122.92 -44.64 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.545 ' HB ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -104.05 -41.98 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.74 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 63.53 133.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 4' ' ' THR . 2.2 pp -171.69 47.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.97 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.27 -172.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -62.02 -51.08 77.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 10' ' ' LEU . 28.0 Cg_exo -62.0 150.98 84.23 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.551 2.168 . . . . 0.0 112.123 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -141.76 173.8 11.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 13' ' ' VAL . 19.8 t -92.36 48.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.064 HG22 HG22 ' A' ' 22' ' ' ILE . 1.6 p -147.13 157.47 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.6 t -59.77 134.32 89.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.756 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.14 -20.76 49.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.444 2.096 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -114.79 -13.24 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.535 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.3 m80 -124.61 87.41 54.58 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.36 -41.56 20.39 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.604 2.203 . . . . 0.0 111.903 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -92.26 40.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -155.08 63.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.064 HG22 HG22 ' A' ' 14' ' ' THR . 24.0 pt -57.08 132.56 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -62.6 114.24 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 25' ' ' GLU . 13.5 t -78.66 159.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -87.43 158.19 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -87.65 -164.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -53.49 -60.09 3.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.316 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.45 18.84 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 25' ' ' GLU . . . 51.6 25.75 2.95 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.479 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.22 -29.29 74.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.262 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -151.53 158.95 44.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.605 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 8.1 mtt -99.02 171.79 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -158.5 132.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.4 t -89.37 115.37 63.57 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.545 0.212 . . . . 0.0 110.765 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 16.3 Cg_endo -57.63 -19.16 36.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.394 2.063 . . . . 0.0 112.613 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -79.54 -83.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.036 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.703 ' SG ' HD23 ' A' ' 39' ' ' LEU . 8.0 p -67.39 -40.18 85.64 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.693 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 88.27 63.42 1.37 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.45 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.703 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -123.64 162.69 22.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 40' ' ' VAL . 14.6 p -109.78 120.71 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.883 0.373 . . . . 0.0 111.517 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 39' ' ' LEU . 19.8 t -124.32 90.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.995 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.0 156.03 29.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.405 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.79 -30.54 67.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -66.38 96.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.1 p -146.56 60.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.7 mt -85.16 72.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.43 82.79 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.57 128.72 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.0 151.14 51.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.58 179.98 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.73 26.93 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -92.53 98.59 11.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 63.8 132.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.8 p -80.31 -176.36 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 60.85 -171.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 p 62.21 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 59.45 98.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -138.45 -55.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -98.52 97.05 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 m -131.04 -66.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -162.84 -66.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -148.94 -62.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.07 133.32 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -136.4 89.9 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 35.45 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.17 118.89 48.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.47 79.77 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.408 2.072 . . . . 0.0 112.235 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 ttp-105 -101.62 59.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 m -63.67 81.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.0 -177.43 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.215 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.1 t -89.56 136.18 29.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.52 -26.38 62.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.432 2.088 . . . . 0.0 112.61 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -111.04 -9.54 14.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.718 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 33.0 m80 -127.61 83.48 65.95 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.2 -27.78 41.02 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.497 2.131 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -99.56 31.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -152.92 80.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tt -66.79 130.57 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.704 ' CD2' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -61.55 113.04 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.823 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 25' ' ' GLU . 14.1 t -63.78 160.4 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 24' ' ' VAL . 5.7 pt-20 -107.94 137.65 45.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 42.68 93.29 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.563 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -117.56 -61.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.5 20.59 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.134 0.492 . . . . 0.0 111.351 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.4 -44.71 0.1 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.226 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.78 -37.32 1.99 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -82.36 -168.69 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.9 mtm -83.95 155.85 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -152.26 139.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 48.4 t -93.78 117.83 67.3 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.581 0.229 . . . . 0.0 111.089 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.63 -19.76 25.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.353 2.036 . . . . 0.0 112.691 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 10.9 mm-40 -87.99 -83.3 0.21 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.566 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 39' ' ' LEU . 24.6 p -69.61 -13.44 62.32 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.593 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 60.09 56.64 23.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.92 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.719 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -104.22 177.75 4.76 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.3 t -130.63 112.51 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.719 ' CG2' HD11 ' A' ' 39' ' ' LEU . 34.2 t -104.54 133.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.74 166.96 39.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.556 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -170.7 83.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 86.46 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 45' ' ' VAL . 12.6 p -137.77 42.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 46' ' ' ILE . 3.0 mt -93.95 59.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.67 95.6 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.6 m -97.48 30.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.54 -81.21 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.05 147.73 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.47 -46.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -113.53 30.37 7.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.959 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -34.57 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -176.94 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -83.12 -42.27 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m 60.52 169.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.02 131.23 49.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -99.55 -42.33 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.23 33.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -112.33 -31.59 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t 60.84 79.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.25 114.06 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.93 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.65 79.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.45 141.73 41.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.96 147.88 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.79 138.47 26.28 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.609 2.206 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -105.42 85.47 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.931 HG13 HG23 ' A' ' 14' ' ' THR . 11.7 p -102.71 161.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.931 HG23 HG13 ' A' ' 13' ' ' VAL . 1.3 p 72.04 175.31 0.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.6 t -94.49 136.7 23.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.747 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.13 -33.45 61.22 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.488 2.126 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.64 -5.31 23.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.908 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.7 m80 -136.96 71.39 56.15 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.31 -57.94 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.438 2.092 . . . . 0.0 112.035 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.59 -40.08 90.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -82.6 88.06 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -78.72 137.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' CD2' HG23 ' A' ' 41' ' ' VAL . 5.0 mp -55.05 -178.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.745 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 25' ' ' GLU . 17.8 t -141.87 160.07 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 14.8 mt-10 -73.76 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.56 -168.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.14 71.74 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 21.2 mmt85 62.44 108.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' ARG . . . 177.87 -37.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.39 27.51 5.52 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.63 160.46 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.489 ' O ' HD13 ' A' ' 33' ' ' ILE . 2.5 mtt -117.48 171.44 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.591 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.905 ' CD1' HG22 ' A' ' 40' ' ' VAL . 32.9 mm -141.25 145.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.242 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 45.0 t -91.18 130.93 38.27 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.59 0.233 . . . . 0.0 110.528 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.34 2.39 7.76 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.339 2.026 . . . . 0.0 113.044 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 8.1 mm-40 -108.9 -58.45 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.582 0.23 . . . . 0.0 111.016 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.713 ' SG ' HD23 ' A' ' 39' ' ' LEU . 25.4 p -97.18 -16.56 20.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.488 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.71 53.56 23.32 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.668 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -105.33 168.7 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 33' ' ' ILE . 22.0 t -119.28 116.25 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.331 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 39' ' ' LEU . 28.5 t -109.02 132.14 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.12 169.6 39.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -176.99 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -60.77 178.92 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.93 119.07 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.2 mm -78.84 78.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.89 173.24 6.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.36 153.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.85 -44.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 m -132.35 176.44 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.808 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.25 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -112.11 170.41 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 61.9 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -136.21 161.28 36.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.84 104.47 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.3 t -131.88 108.37 9.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -76.29 149.11 37.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -90.99 144.78 25.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.823 0.344 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 155.76 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.2 m 60.08 95.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -168.22 -54.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -102.42 172.11 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.14 84.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -91.55 -178.92 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.84 -174.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.84 135.27 67.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 106.4 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.517 2.145 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -82.07 -164.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.8 t 59.93 110.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.4 ' CG2' HG12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -116.75 -174.95 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.036 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.2 t -86.61 135.9 35.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.78 -30.9 33.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.378 2.052 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.97 -6.11 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 34.8 m80 -134.57 75.94 62.21 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 -24.51 30.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.506 2.137 . . . . 0.0 112.414 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -72.96 -33.23 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 14' ' ' THR . 3.6 mt -128.21 141.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.073 HD22 HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -63.11 107.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 25' ' ' GLU . 14.3 t -62.42 159.95 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 24' ' ' VAL . 14.0 mt-10 -102.55 138.93 38.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.47 -176.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -36.32 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.58 -134.76 0.32 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.91 40.08 1.05 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.92 15.36 59.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.409 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 61.46 -177.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.712 0.291 . . . . 0.0 110.817 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.76 158.1 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.735 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.49 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -139.37 148.18 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -99.08 107.46 44.29 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.7 -23.19 14.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.378 2.052 . . . . 0.0 112.532 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 6.3 mm-40 -75.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.841 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.1 p -75.54 -38.59 59.22 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 92.75 49.15 2.78 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.834 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' SG ' ' A' ' 37' ' ' CYS . 1.3 pp -100.43 -178.3 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.797 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.607 ' N ' HD12 ' A' ' 39' ' ' LEU . 18.8 t -135.85 108.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.073 HG12 HD22 ' A' ' 23' ' ' LEU . 13.4 p -106.85 134.61 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.06 17.27 14.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.762 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -71.01 174.72 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.758 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -88.08 76.94 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 p -168.24 140.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 46' ' ' ILE . 7.6 tt -143.6 62.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -171.73 41.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -61.53 -30.64 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.32 161.51 13.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t 63.36 140.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -142.52 103.84 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -33.96 6.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 96.06 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.03 52.65 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -100.53 32.38 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.72 163.86 27.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.4 149.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.42 31.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 171.58 11.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -108.06 151.1 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -137.92 36.46 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -145.6 168.84 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.04 144.62 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -156.22 149.7 24.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.96 42.86 9.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -86.53 -53.26 0.42 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 10' ' ' LEU . 94.5 Cg_endo -85.98 172.3 7.6 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.79 2.327 . . . . 0.0 112.679 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.03 174.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 14' ' ' THR . 19.5 t -103.53 159.34 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.482 ' N ' HG12 ' A' ' 13' ' ' VAL . 69.9 p -97.96 -177.05 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 52.1 t -82.39 135.91 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.96 -29.68 57.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.399 2.066 . . . . 0.0 112.392 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.79 -8.26 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.514 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.4 m80 -131.31 77.56 73.91 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.662 0.268 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.67 -32.27 30.87 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.455 2.103 . . . . 0.0 112.205 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.41 -30.59 66.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.7 179.87 5.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' ILE . 2.5 tt -147.37 124.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -66.95 105.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.649 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -58.05 -165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.649 ' N ' HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -151.2 168.13 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.873 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.33 90.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.978 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.28 -63.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 19.88 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.226 0.536 . . . . 0.0 111.224 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 179.31 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.15 48.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.364 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -114.81 169.72 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp -102.29 152.06 21.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.897 ' CD1' HG22 ' A' ' 40' ' ' VAL . 30.2 mm -145.94 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.073 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 49.7 t -95.91 122.7 57.8 Favored Pre-proline 0 C--N 1.333 -0.15 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.0 -10.34 25.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.189 1.926 . . . . 0.0 112.933 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mm-40 -96.05 -77.39 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.285 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' HD23 ' A' ' 39' ' ' LEU . 20.3 p -73.5 -19.02 61.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.4 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.25 52.16 33.47 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.587 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.49 174.96 5.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.548 0.213 . . . . 0.0 110.468 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.897 HG22 ' CD1' ' A' ' 33' ' ' ILE . 11.9 t -133.21 111.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.306 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.681 ' CG2' HD11 ' A' ' 39' ' ' LEU . 37.9 t -96.95 133.31 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.35 38.81 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB2' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -121.2 114.58 21.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -101.72 98.83 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.66 140.96 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 tt -140.36 41.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -172.72 75.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 49' ' ' GLY . 21.5 t -87.63 158.89 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -101.74 -148.99 22.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.585 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.409 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -109.99 -34.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.53 18.51 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.253 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CE3' ' O ' ' A' ' 50' ' ' SER . 3.8 m-90 -113.39 55.04 0.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 110.779 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 82.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 t -154.3 65.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -129.47 -56.45 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 p -92.35 173.37 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 m120 63.88 133.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.67 175.07 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.22 149.08 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -100.33 -65.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -77.59 -169.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 125.85 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.67 ' N ' HD22 ' A' ' 7' ' ' LEU . 1.2 mm? -114.21 63.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.83 128.4 7.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.16 148.9 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER 62.01 150.55 0.1 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.698 ' HB3' HG21 ' A' ' 45' ' ' VAL . 59.4 Cg_endo -72.1 115.38 4.29 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.625 2.216 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -100.29 73.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.31 136.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.378 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 58.96 -174.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.8 t -96.55 139.66 21.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.64 -36.66 91.63 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.719 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -105.92 -4.69 20.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.869 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.9 m80 -132.21 79.19 66.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.75 -28.15 37.21 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.81 -69.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.745 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -76.45 119.06 19.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.3 149.66 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.234 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD21 HD21 ' A' ' 39' ' ' LEU . 7.8 mp -58.32 133.91 56.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 25' ' ' GLU . 21.2 t -115.73 161.2 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -66.21 135.23 54.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.54 -46.05 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.12 32.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.86 20.57 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.125 0.488 . . . . 0.0 111.232 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.06 14.34 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.78 46.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.627 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.73 123.28 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.441 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.7 mtt -97.0 89.8 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.749 HG22 HG22 ' A' ' 40' ' ' VAL . 1.7 pp -84.01 153.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HB2' HD23 ' A' ' 39' ' ' LEU . 27.7 t -94.67 134.63 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.745 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.3 Cg_endo -74.28 -3.26 13.53 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.372 2.048 . . . . 0.0 112.699 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 16.0 mm-40 -110.24 -78.0 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 23.8 p -68.68 -21.62 64.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.005 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 73.09 55.34 6.36 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.056 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 40' ' ' VAL . 1.1 pp -93.23 -179.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.815 ' N ' HD12 ' A' ' 39' ' ' LEU . 29.0 t -148.42 93.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.314 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.815 HG23 ' CD1' ' A' ' 39' ' ' LEU . 67.7 t -133.11 102.73 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.951 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.27 107.71 2.17 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.94 170.04 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -157.43 39.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG21 ' HB3' ' A' ' 11' ' ' PRO . 12.5 p -92.25 121.34 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.033 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.98 92.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.91 32.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.28 -32.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.93 -55.4 4.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m 61.12 66.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.946 0.403 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.13 142.52 50.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -87.34 54.82 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -139.04 -173.2 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 m -110.6 159.29 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -92.97 -75.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.5 m -105.57 -15.48 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.8 m120 62.59 147.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.37 22.59 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -75.01 90.52 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 5' ' ' SER . 9.9 t -140.63 -47.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 4' ' ' THR . 58.6 m -132.78 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.38 169.26 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.76 95.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -119.95 154.8 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.62 142.5 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -148.64 101.05 3.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.45 144.28 18.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.64 101.6 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 13' ' ' VAL . 5.6 m -72.48 133.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.1 p 55.95 -170.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 49.8 t -97.34 137.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 25.4 Cg_exo -62.58 -27.31 76.39 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.552 2.168 . . . . 0.0 112.527 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.01 -10.77 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.673 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.667 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.6 m80 -127.26 73.6 77.32 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -56.75 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.624 2.216 . . . . 0.0 112.18 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.14 -41.43 96.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -87.51 76.5 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.9 mt -71.37 142.47 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 HD21 ' A' ' 39' ' ' LEU . 10.8 mp -47.93 169.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.654 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 25' ' ' GLU . 12.0 t -137.7 159.07 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -81.67 140.42 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.27 -48.08 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 179.6 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -94.27 19.51 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.138 0.494 . . . . 0.0 111.559 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 50.37 29.22 3.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.359 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.73 -46.34 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.42 96.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.527 ' CB ' HD23 ' A' ' 23' ' ' LEU . 45.9 mtt -86.16 116.41 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.815 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -117.38 130.28 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 33' ' ' ILE . 39.5 t -90.28 119.73 69.18 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.49 -13.83 31.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.572 2.182 . . . . 0.0 113.149 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 62.3 mm-40 -92.0 -81.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.269 -0.172 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.595 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.3 p -66.07 -27.86 68.4 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.721 0.295 . . . . 0.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.89 47.96 8.15 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.941 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.655 HD11 HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -94.0 172.43 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -143.78 110.22 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.2 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.655 HG23 HD11 ' A' ' 39' ' ' LEU . 22.7 t -98.61 127.11 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.091 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.73 62.61 3.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.05 110.79 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 59.58 67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.61 87.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 46' ' ' ILE . 16.1 tt -79.96 107.26 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.87 110.42 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.5 p -145.95 63.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 168.42 137.25 2.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.4 170.07 21.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -158.02 98.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -90.98 134.13 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.16 168.62 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 55' ' ' PHE . 16.4 m -79.54 162.82 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -88.98 -45.77 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.62 160.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.66 30.6 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.5 109.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.844 0.354 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -176.1 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -118.06 -41.93 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.23 169.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.766 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -100.02 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 6' ' ' ARG . 2.3 mm? -137.47 133.65 34.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.95 85.83 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.02 72.13 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.3 mt -61.92 -60.74 9.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 10' ' ' LEU . 56.2 Cg_endo -70.69 161.67 45.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.479 2.12 . . . . 0.0 112.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -166.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 13' ' ' VAL . 8.5 p -54.44 103.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' VAL . 1.8 p -159.73 -176.6 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.766 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 19.2 t -76.98 127.2 84.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.68 -25.76 69.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.416 2.077 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.98 -20.63 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.309 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 37.3 m80 -121.19 73.71 27.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.02 -38.47 16.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.591 2.194 . . . . 0.0 112.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.9 -31.8 70.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.716 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . . . -100.78 131.97 46.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.58 135.15 42.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 HG23 ' A' ' 41' ' ' VAL . 6.5 mp -56.54 112.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 25' ' ' GLU . 15.1 t -81.77 159.64 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' N ' HG12 ' A' ' 24' ' ' VAL . 3.1 mt-10 -77.38 145.96 36.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -62.75 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.673 ' CE2' ' HB2' ' A' ' 29' ' ' ALA . 33.4 p90 -160.37 52.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 60.0 21.17 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.135 0.493 . . . . 0.0 111.334 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -90.97 -32.28 16.01 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.84 -51.36 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.594 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.03 133.61 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.96 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.52 169.91 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -151.44 144.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 16.2 t -87.85 113.09 53.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.387 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 12.8 Cg_endo -56.69 -21.75 40.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -70.39 -71.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.672 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.1 p -87.64 -45.46 10.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 110.804 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.56 53.31 0.99 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.401 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.66 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.84 167.9 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.43 119.03 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.009 0.433 . . . . 0.0 111.948 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.567 ' CG2' HD11 ' A' ' 39' ' ' LEU . 33.2 t -127.11 129.43 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.902 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.08 53.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.593 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -99.13 120.58 39.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.801 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.32 178.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.67 143.2 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 46' ' ' ILE . 1.8 mp -126.98 49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.4 71.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -99.39 102.2 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.11 67.23 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.442 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.0 p -77.19 80.42 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -112.42 -73.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -104.78 138.97 40.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -128.54 169.17 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 p -76.95 -33.76 57.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -91.67 143.01 26.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.9 m -111.78 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -112.37 -46.65 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.4 98.33 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -112.78 172.44 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 t -166.42 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -173.16 104.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ASP . 20.5 ttm180 -131.76 126.46 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 66.55 -66.8 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER 66.76 88.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.11 71.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.69 87.79 52.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 140.14 40.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.588 2.192 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' HG2' HG23 ' A' ' 13' ' ' VAL . 41.1 ttt85 -117.24 131.27 56.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG23 ' HG2' ' A' ' 12' ' ' ARG . 42.6 t 47.01 48.39 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.91 -175.3 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.049 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.6 t -101.34 136.72 19.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.69 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -33.4 63.18 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.407 2.072 . . . . 0.0 112.495 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -103.03 -4.9 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.9 m80 -137.75 73.26 47.66 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.752 0.311 . . . . 0.0 110.742 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.47 -23.6 43.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.277 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.32 -39.14 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 149.67 21.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.67 136.11 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.069 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.779 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -58.89 100.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 25' ' ' GLU . 15.1 t -62.46 160.49 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 24' ' ' VAL . 18.6 mt-10 -102.96 164.74 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.33 -171.27 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.53 34.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -136.93 18.95 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.27 0.557 . . . . 0.0 111.225 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 179.61 -69.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 44.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.382 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -122.77 168.84 11.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.3 mtt -115.58 160.38 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -152.05 142.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' HG13 ' A' ' 33' ' ' ILE . 45.3 t -96.91 108.87 46.06 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.17 -23.98 14.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.583 2.188 . . . . 0.0 112.951 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 20.2 mm-40 -74.09 -80.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.687 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.2 p -72.66 -41.91 64.91 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.589 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.84 51.68 1.91 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.158 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.779 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.59 172.42 6.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 33' ' ' ILE . 21.3 t -129.78 113.83 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 111.299 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG23 ' CD2' ' A' ' 23' ' ' LEU . 25.5 t -104.21 132.56 50.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 86.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.613 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.28 -30.56 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -116.19 134.42 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 102.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.27 112.51 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.3 136.38 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.9 p -59.26 110.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.054 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.67 175.99 47.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.3 m -114.23 159.28 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -82.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.5 m95 54.43 30.76 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 24.08 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' THR . 7.2 m 62.94 15.96 8.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 44.92 78.92 0.05 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.85 -173.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -131.85 48.41 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.4 153.87 44.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.871 0.367 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -87.8 139.42 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -140.83 -52.77 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -126.35 -53.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.66 161.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.57 -23.26 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t70 65.87 83.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' H ' HD23 ' A' ' 10' ' ' LEU . . . -163.87 68.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -153.5 64.5 5.0 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.019 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 10' ' ' LEU . 20.2 Cg_exo -65.52 -167.99 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.673 2.249 . . . . 0.0 112.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 57.82 71.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.026 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' OE1' ' A' ' 25' ' ' GLU . 21.6 t -149.17 85.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p -133.43 -178.27 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' LEU . 15.0 t -107.32 140.12 21.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.0 -41.46 76.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.578 2.185 . . . . 0.0 112.793 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -102.4 -3.68 26.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.882 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.5 m80 -131.78 86.06 49.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.673 0.273 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.82 -26.58 59.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.557 2.171 . . . . 0.0 112.12 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -41.51 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.705 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -65.67 171.38 4.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 108.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.309 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.072 HD11 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -58.4 98.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.517 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 25' ' ' GLU . 20.8 t -46.8 161.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.504 ' N ' HG12 ' A' ' 24' ' ' VAL . 9.2 mt-10 -136.49 123.74 21.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.924 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.92 113.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -125.01 -66.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.0 20.54 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.238 0.542 . . . . 0.0 111.461 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -161.02 -42.92 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.67 39.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.572 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.59 161.78 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.74 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mtt -94.33 156.0 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -156.89 133.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 53.9 t -96.22 118.53 65.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 26.8 Cg_endo -62.17 -12.17 25.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.929 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 18' ' ' HIS . 6.8 tp10 -89.99 -75.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.43 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.7 ' SG ' HD23 ' A' ' 39' ' ' LEU . 9.0 p -74.64 -24.13 58.78 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.66 45.38 17.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.114 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.072 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -93.8 170.19 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.643 0.258 . . . . 0.0 110.467 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.79 112.63 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 39' ' ' LEU . 14.9 t -96.01 128.27 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.51 104.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.611 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -111.74 -34.07 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -84.73 157.57 21.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.1 p -68.4 92.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 pt -69.71 84.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.35 159.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.02 104.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.98 -85.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.544 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -125.45 135.87 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.22 71.56 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.0 m95 59.81 104.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -44.67 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -170.61 134.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.19 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 m -97.55 -35.56 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -107.43 115.74 30.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.35 164.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 pttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -158.61 -179.45 8.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 p -137.4 -48.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p -110.79 75.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 -157.23 41.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.19 172.26 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.21 -42.65 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.32 157.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.4 150.79 47.13 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.25 129.03 29.62 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -89.44 106.86 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 22' ' ' ILE . 61.5 t 50.13 90.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 13' ' ' VAL . 2.3 p -158.46 166.53 31.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.0 t -74.34 136.0 75.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.689 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.51 -29.04 53.27 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.491 2.127 . . . . 0.0 112.541 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.78 -7.52 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.544 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 31.8 m80 -130.04 86.52 54.24 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.712 0.291 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -20.05 33.77 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.546 2.164 . . . . 0.0 112.245 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.31 24.99 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.35 153.47 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 13' ' ' VAL . 3.4 mp -128.87 128.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.234 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -57.31 102.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 25' ' ' GLU . 13.7 t -72.85 159.45 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.33 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -82.19 147.23 29.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.87 -32.0 35.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 t80 61.06 26.69 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.03 20.32 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.205 0.526 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -179.19 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.186 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 30.51 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.75 165.41 16.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -111.63 169.38 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -160.36 142.57 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 21.7 t -99.94 105.43 34.9 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.502 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.05 -24.84 8.13 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.507 2.138 . . . . 0.0 112.61 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -68.38 -77.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.8 p -77.74 -43.04 32.13 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.97 0.414 . . . . 0.0 110.346 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 52.41 1.43 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -106.76 166.96 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 33' ' ' ILE . 18.6 t -126.37 116.79 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.524 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' CD2' ' A' ' 23' ' ' LEU . 25.3 t -111.67 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.971 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.79 75.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.564 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.43 85.09 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.35 35.36 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.14 105.03 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mt -107.7 71.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -150.52 32.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.28 115.68 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.0 154.39 29.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.579 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 m -82.85 -172.61 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.77 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.62 -30.73 7.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -136.63 -47.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.7 30.74 0.56 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.447 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.55 114.65 26.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 59.9 80.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.61 74.99 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -161.15 -44.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.26 158.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 60.43 57.96 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 6' ' ' ARG . 6.5 t -123.56 32.92 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t 60.77 40.55 15.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.44 ' HB2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.31 107.06 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -111.33 125.77 54.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.95 -70.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 10' ' ' LEU . . . -57.98 171.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.5 mp 60.79 81.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.45 -177.27 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.539 2.16 . . . . 0.0 112.236 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.58 94.28 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.21 80.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 22' ' ' ILE . 1.4 p -120.94 166.06 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.5 t -71.51 135.77 83.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.804 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.62 -25.92 61.75 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.442 2.095 . . . . 0.0 112.452 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.85 -13.7 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m80 -121.71 83.8 42.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.39 -28.97 54.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.403 2.068 . . . . 0.0 111.935 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -79.06 -45.41 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.78 ' O ' HD13 ' A' ' 22' ' ' ILE . . . -71.35 166.89 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.78 HD13 ' O ' ' A' ' 21' ' ' ALA . 24.4 mm -139.91 122.97 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 41' ' ' VAL . 10.7 mp -57.9 119.63 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.578 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 25' ' ' GLU . 12.5 t -96.48 159.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -111.32 174.64 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.21 -76.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -147.35 -63.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -171.83 108.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 28' ' ' ARG . . . 172.78 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.56 29.18 1.78 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.549 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -114.72 106.09 13.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -135.94 127.08 28.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.01 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 39' ' ' LEU . 1.8 pp -113.23 161.29 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.2 t -97.52 127.79 36.7 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.85 58.23 5.97 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.097 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 25.8 tp10 -167.33 -70.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.319 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -82.47 -25.37 33.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.897 0.379 . . . . 0.0 110.025 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.44 53.89 4.91 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.651 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.75 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -100.0 169.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.76 HG11 ' HB3' ' A' ' 44' ' ' ARG . 21.3 t -133.61 113.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.603 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.713 ' CG2' HD11 ' A' ' 39' ' ' LEU . 39.7 t -106.88 134.99 46.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.783 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.16 -70.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.347 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -177.92 176.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.76 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.6 ptt180 -162.42 -175.73 4.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.7 p -101.38 106.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.1 pt -64.09 92.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -116.79 32.24 6.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 49' ' ' GLY . 28.3 t -104.05 158.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -125.55 -41.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -61.61 176.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -130.59 -71.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -114.48 30.38 7.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -146.64 132.02 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -107.09 137.34 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.72 158.14 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t 60.2 175.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -126.16 158.54 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.36 171.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -116.06 124.47 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -64.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -163.25 -58.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 69.78 -64.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp 64.61 137.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 129.3 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.02 166.83 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -177.08 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 10' ' ' LEU . 63.7 Cg_endo -73.94 115.79 4.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.271 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -97.22 38.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 13' ' ' VAL . 11.8 p -148.91 60.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.467 HG22 HG13 ' A' ' 22' ' ' ILE . 24.8 p -116.48 -177.72 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.6 t -75.84 134.86 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.99 -23.4 46.76 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.356 2.037 . . . . 0.0 112.432 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -110.41 -20.13 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 35.9 m80 -117.44 72.58 7.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.19 -29.5 47.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.47 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.75 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -81.41 111.29 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.467 HG13 HG22 ' A' ' 14' ' ' THR . 5.1 tt -80.71 139.04 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 39' ' ' LEU . 4.0 mp -58.1 106.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -66.8 -165.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.642 ' N ' HG13 ' A' ' 24' ' ' VAL . 6.8 mt-10 -132.16 152.42 51.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.35 -46.3 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.34 -73.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.24 22.37 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.452 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.26 -33.94 15.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.26 19.6 7.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.725 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.62 118.24 36.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.754 0.311 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.483 ' O ' HD13 ' A' ' 33' ' ' ILE . 1.3 mtt -95.49 133.42 39.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.001 HD12 HG22 ' A' ' 40' ' ' VAL . 41.5 mm -124.63 140.84 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 34.3 t -96.33 109.63 48.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.59 -21.72 15.12 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.75 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 3.1 mm-40 -81.35 -82.93 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.295 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.6 p -69.67 -30.59 68.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 82.15 49.41 5.29 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.609 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -94.88 175.49 6.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.001 HG22 HD12 ' A' ' 33' ' ' ILE . 21.2 t -139.01 110.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 0.0 111.48 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 23' ' ' LEU . 22.0 t -93.63 132.83 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.62 52.24 31.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.26 173.97 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.992 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 97.36 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.1 p -106.21 118.57 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER 43.36 40.96 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.717 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -162.48 50.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.4 m -65.09 -30.11 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.244 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.57 133.74 6.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 p -106.2 30.6 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.42 -36.96 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 59.32 44.51 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -152.81 150.19 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 p -138.38 131.74 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -106.61 -48.08 3.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.94 77.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -141.94 -51.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.81 120.99 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 60.28 -176.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.6 m -150.19 76.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.0 55.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' HD3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 -53.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD23 ' HD3' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -176.9 163.76 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.959 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.24 157.39 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.62 116.34 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.071 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 11.9 tp -70.55 -49.4 15.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.348 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 10' ' ' LEU . 92.9 Cg_endo -78.84 153.67 25.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.399 2.066 . . . . 0.0 112.393 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -79.24 59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 13' ' ' VAL . 4.8 m -82.99 -179.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.549 HG22 HG13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.16 167.41 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.712 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.6 t -60.23 134.93 90.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.03 -25.43 51.55 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.494 2.13 . . . . 0.0 112.497 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -9.26 14.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.2 m80 -129.21 80.37 72.58 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.758 0.313 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.97 -43.67 6.33 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.6 2.2 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -94.21 84.32 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.549 HG13 HG22 ' A' ' 14' ' ' THR . 14.9 tt -67.2 142.68 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.186 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD21 HD11 ' A' ' 39' ' ' LEU . 6.8 mp -54.41 152.42 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.756 HG23 ' HD3' ' A' ' 35' ' ' PRO . 17.4 t -105.57 160.2 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 mm-40 -105.73 129.06 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.3 -167.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.64 -60.49 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -159.96 105.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 73.81 30.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.36 16.76 44.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.647 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.01 -177.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.053 0.454 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.2 mmm -105.23 124.47 49.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.688 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.808 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -109.7 131.79 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.447 -179.411 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.808 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -90.03 118.12 68.63 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.627 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.756 ' HD3' HG23 ' A' ' 24' ' ' VAL . 16.3 Cg_endo -57.56 -17.04 26.36 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 113.289 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -90.0 -81.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.434 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.43 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 21.1 p -67.77 -25.56 65.68 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.206 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.43 48.38 8.16 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.77 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -89.01 174.58 7.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.538 0.208 . . . . 0.0 110.564 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' N ' HD12 ' A' ' 39' ' ' LEU . 33.4 t -148.6 103.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.139 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG23 ' CD1' ' A' ' 39' ' ' LEU . 56.7 t -143.6 109.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.213 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.88 40.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -79.48 127.32 31.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -127.44 -177.23 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t 51.51 77.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 46' ' ' ILE . 3.2 mp -135.69 53.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -69.84 179.14 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.54 100.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.72 141.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.396 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.51 88.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -31.8 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -63.64 -72.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -164.46 167.89 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.9 p -86.35 122.7 30.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -125.6 136.27 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.74 164.12 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 60.88 36.68 18.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.15 -46.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tptt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -75.42 -49.06 20.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -123.83 122.25 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.64 105.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -174.59 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -164.33 -178.45 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.22 -43.92 92.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' N ' HD12 ' A' ' 7' ' ' LEU . . . 56.49 54.63 7.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.184 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.36 144.08 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 155.74 12.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.452 2.102 . . . . 0.0 112.224 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -119.98 168.91 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.762 HG22 HD11 ' A' ' 23' ' ' LEU . 13.5 p 43.53 44.74 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.554 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.007 HG23 HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -103.25 153.3 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.5 t -57.36 135.54 81.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.09 -28.34 48.98 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.669 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -106.43 -10.47 16.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.54 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.78 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 30.3 m80 -126.19 85.82 59.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.052 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 -36.88 9.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.528 2.152 . . . . 0.0 111.98 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 6.0 38.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.78 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -137.59 83.15 1.97 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.74 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.007 HD12 HG23 ' A' ' 14' ' ' THR . 1.7 tt -67.81 137.08 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -55.25 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 35' ' ' PRO . 16.6 t -122.2 160.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.483 ' N ' HG12 ' A' ' 24' ' ' VAL . 17.4 tt0 -120.88 87.9 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.81 144.91 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.1 m-85 -86.15 56.56 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 6.4 mmt-85 -164.38 110.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.23 22.89 13.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.67 30.47 43.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.74 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.2 139.13 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 3.7 mtt -118.24 155.61 30.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -151.55 133.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.176 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.871 ' N ' HD13 ' A' ' 33' ' ' ILE . 45.2 t -87.47 123.57 69.37 Favored Pre-proline 0 C--N 1.334 -0.105 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HD3' HG23 ' A' ' 24' ' ' VAL . 46.8 Cg_endo -68.57 -4.94 14.07 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.458 2.105 . . . . 0.0 112.967 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 22.2 tp10 -100.47 -71.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.41 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.767 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.0 p -78.16 -27.32 48.08 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.927 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 79.83 46.55 7.73 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.517 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -95.62 176.49 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.59 0.233 . . . . 0.0 110.831 -179.542 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.541 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.2 t -132.78 111.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.294 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.693 ' CG2' HD11 ' A' ' 39' ' ' LEU . 10.6 t -97.36 132.78 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.97 86.85 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.0 158.29 15.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -175.33 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.84 138.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 tt -56.37 135.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.06 165.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 48' ' ' VAL . 12.4 p -88.22 54.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.82 132.41 10.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 96.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -143.72 128.18 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -110.17 177.1 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -172.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 m 63.51 154.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -97.81 37.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.65 158.2 17.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -142.28 94.14 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 91.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -147.0 150.39 35.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m 60.62 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -74.2 84.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -112.18 125.29 53.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.49 -42.25 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -170.39 124.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.22 119.66 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 tp -173.04 96.94 0.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.13 106.47 1.36 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.465 2.11 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.21 130.89 51.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.74 164.39 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 23' ' ' LEU . 10.4 p 56.36 -172.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 54.1 t -121.46 131.5 24.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.77 -29.27 70.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 18' ' ' HIS . 5.9 p-10 -110.99 -8.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.678 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 38.1 m80 -133.75 71.28 74.87 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.23 -51.62 7.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.472 2.115 . . . . 0.0 112.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -43.62 75.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -90.01 109.21 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.32 139.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.552 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -61.52 109.59 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.68 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG23 ' HD3' ' A' ' 35' ' ' PRO . 20.2 t -47.92 161.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.5 mt-10 -113.53 102.79 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.136 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 148.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 179.18 106.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.54 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 65.81 22.12 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.211 0.529 . . . . 0.0 110.862 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 76.75 38.23 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 18.64 10.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.846 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.86 -156.04 0.32 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.715 0.257 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.9 mtm -68.02 151.32 47.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.713 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -155.78 131.68 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.27 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.709 ' N ' HD13 ' A' ' 33' ' ' ILE . 53.8 t -90.56 112.28 52.23 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.588 0.232 . . . . 0.0 110.794 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 24' ' ' VAL . 54.0 Cg_exo -52.15 -21.38 12.71 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.908 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.2 mm-40 -82.14 -84.4 0.12 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.362 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' HD23 ' A' ' 39' ' ' LEU . 10.3 p -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 50.86 5.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.096 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.87 170.13 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.23 114.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.358 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.628 ' CG2' HD11 ' A' ' 39' ' ' LEU . 24.4 t -106.74 133.12 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.037 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.13 179.17 40.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.97 -169.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -65.5 112.78 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.3 p -168.94 123.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.38 128.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -99.08 85.71 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.0 p -139.67 132.76 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.85 -36.84 0.38 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.394 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -59.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 63.89 47.92 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -80.51 177.85 8.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -124.02 -175.23 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -118.23 165.79 13.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.11 114.96 13.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.09 -47.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m120 68.71 -68.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -172.38 -73.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 tttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -100.09 -75.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 62.76 121.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -151.2 170.62 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.39 157.56 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mp 60.88 160.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.04 133.1 54.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.11 142.6 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -150.31 120.36 3.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 103.61 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.37 2.047 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.553 HH21 HD11 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -71.9 104.1 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.31 89.42 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.73 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.3 t -96.9 138.29 21.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.646 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 43.1 Cg_exo -56.78 -31.97 90.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.553 2.169 . . . . 0.0 112.743 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -112.96 -6.89 13.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.833 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.8 m80 -128.38 78.7 75.28 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.82 -23.16 41.91 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.477 2.118 . . . . 0.0 112.256 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.83 -31.1 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' HIS . . . -60.65 -172.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.42 91.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -63.47 78.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 179.782 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 25' ' ' GLU . 16.8 t -46.55 160.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.456 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 13.3 mt-10 -128.11 113.33 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.23 170.32 9.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -96.4 -65.43 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -127.53 20.08 6.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 111.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.44 -32.66 18.18 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' O ' HG13 ' A' ' 40' ' ' VAL . . . 152.85 43.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.566 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.83 -159.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.704 ' HB3' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.38 158.75 35.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.697 0.284 . . . . 0.0 110.959 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.545 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -152.33 137.65 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.251 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' LEU . 29.2 t -97.11 113.98 63.96 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 11.2 Cg_endo -54.92 -21.23 25.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.309 2.006 . . . . 0.0 112.325 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -76.73 -79.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.701 ' SG ' HD23 ' A' ' 39' ' ' LEU . 13.5 p -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.637 0.256 . . . . 0.0 111.328 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 75.2 44.1 23.87 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.675 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.701 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -89.77 174.71 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.611 0.243 . . . . 0.0 110.481 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 30' ' ' GLY . 21.6 t -134.88 108.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.707 ' CG2' HD21 ' A' ' 23' ' ' LEU . 21.0 t -92.04 123.9 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 -81.9 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.183 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.32 -81.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.14 97.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.042 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 45' ' ' VAL . 5.5 m -73.36 152.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.31 63.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.41 152.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 48' ' ' VAL . 5.5 m -72.73 -179.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.14 -142.66 6.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.577 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -127.84 41.7 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 61.52 31.25 18.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -117.05 121.35 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.48 48.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 p -71.33 -32.56 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -135.87 169.12 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -79.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -177.94 87.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.71 -169.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tttm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.856 0.36 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m 60.39 32.83 20.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.35 116.19 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -130.57 179.55 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.0 113.43 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -117.87 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -116.35 167.64 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.38 119.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.96 108.63 47.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.85 94.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.467 2.111 . . . . 0.0 112.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 76.83 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 14' ' ' THR . 21.3 t -145.59 159.23 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -149.84 168.25 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.5 t -107.67 138.24 19.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.47 -43.48 27.47 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.568 2.179 . . . . 0.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -4.55 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 39.2 m80 -140.27 74.12 30.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.731 0.301 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.97 -25.25 77.66 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.619 2.213 . . . . 0.0 112.303 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -82.88 -40.38 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.6 112.0 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -82.9 140.95 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.4 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.906 HD11 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.59 100.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.655 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 25' ' ' GLU . 16.2 t -55.01 160.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 24' ' ' VAL . 8.6 pt-20 -112.27 169.55 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.61 -167.11 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -57.65 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -98.26 20.32 12.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.221 0.534 . . . . 0.0 111.268 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.43 28.74 18.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.32 -35.64 82.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.38 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.15 168.14 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.746 0.308 . . . . 0.0 110.744 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.25 165.45 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -155.2 134.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.6 t -96.11 111.51 56.61 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.81 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.31 -22.21 11.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.581 2.187 . . . . 0.0 112.932 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 17.1 mm-40 -81.41 -83.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.566 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.1 p -66.66 -23.75 66.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.88 50.26 14.22 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.191 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -97.35 171.55 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.27 112.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.245 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.588 HG23 ' CD2' ' A' ' 23' ' ' LEU . 24.6 t -92.93 124.83 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.8 71.36 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.552 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -94.4 144.41 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -149.77 170.43 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.69 141.88 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -117.95 52.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 62.6 121.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.7 t 62.18 -80.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.8 -130.9 10.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 p 63.27 138.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -45.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -89.23 162.7 15.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 54' ' ' THR . 12.6 mtp-105 -142.18 178.02 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 53' ' ' ARG . 7.9 t 51.22 171.28 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -157.15 133.46 9.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.18 165.89 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.8 -33.75 8.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.53 132.55 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 60.4 109.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 t -115.75 146.5 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -97.35 39.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.94 -57.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.03 171.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.51 140.3 49.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.51 47.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.04 57.59 30.93 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HG2' HG12 ' A' ' 13' ' ' VAL . 56.5 Cg_endo -70.26 179.91 3.62 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.543 2.162 . . . . 0.0 112.324 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.29 69.37 0.22 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.024 HG22 HG23 ' A' ' 14' ' ' THR . 10.9 p -157.36 134.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.024 HG23 HG22 ' A' ' 13' ' ' VAL . 7.2 p 57.86 163.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 43.9 t -68.1 135.07 91.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.07 -24.81 59.23 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.491 2.127 . . . . 0.0 112.528 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -112.35 -9.38 13.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.554 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.6 m80 -129.36 81.82 69.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.713 0.292 . . . . 0.0 111.065 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.55 -32.32 48.88 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.547 2.165 . . . . 0.0 112.223 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.18 -39.68 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.09 105.98 16.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.845 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.4 mp -83.61 138.49 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 32' ' ' MET . 4.9 mp -53.09 110.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.601 HG23 ' HD3' ' A' ' 35' ' ' PRO . 21.3 t -59.21 160.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -102.91 151.44 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.59 136.08 20.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 111.193 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.7 t80 57.43 77.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 56.62 22.83 7.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 111.328 179.79 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 69.57 29.67 4.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.079 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.57 -28.41 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.333 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -132.48 132.91 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.723 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.4 mtt -96.08 162.3 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.568 ' C ' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -164.14 116.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' N ' HD13 ' A' ' 33' ' ' ILE . 20.0 t -90.22 113.84 58.81 Favored Pre-proline 0 CA--C 1.528 0.126 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.601 ' HD3' HG23 ' A' ' 24' ' ' VAL . 19.0 Cg_endo -58.39 -19.89 45.69 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.479 2.12 . . . . 0.0 112.486 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -72.36 -78.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.764 ' SG ' HD23 ' A' ' 39' ' ' LEU . 5.9 p -72.68 -29.2 63.21 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.378 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.7 53.84 4.83 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.302 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.764 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -114.23 160.73 18.7 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.3 p -117.03 119.14 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.531 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.754 ' CG2' HD11 ' A' ' 39' ' ' LEU . 35.8 t -115.53 80.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.75 -67.78 1.98 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.587 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -177.98 161.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.706 0.289 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -127.37 97.69 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.73 32.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -71.46 70.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 61.4 3.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 89.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.89 -175.57 27.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m 60.64 88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -155.41 92.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -123.07 156.03 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 60.97 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -91.0 -76.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 65.57 -75.1 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -56.21 169.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.06 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.51 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 tttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -85.06 113.45 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.2 p -95.58 -58.86 2.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -149.69 64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.86 -171.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 130.67 50.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.2 108.83 10.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 99.54 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.4 mt 59.77 82.06 0.24 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.98 60.58 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.841 2.361 . . . . 0.0 112.411 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 46.37 31.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.381 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 14' ' ' THR . 4.9 m -67.71 115.52 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.028 HG22 HG22 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -163.05 159.72 23.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' LEU . 53.3 t -58.17 135.3 84.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.17 -30.27 38.2 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.461 2.107 . . . . 0.0 112.434 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -103.51 -6.21 22.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.524 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 31.6 m80 -132.81 90.51 32.03 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.645 0.26 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.93 -26.02 44.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.367 2.044 . . . . 0.0 112.221 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.32 -48.64 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -78.05 113.84 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.028 HG22 HG22 ' A' ' 14' ' ' THR . 10.6 pt -89.96 132.86 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mp -58.67 104.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 25' ' ' GLU . 19.5 t -50.16 161.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.8 mt-10 -126.73 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.984 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.99 64.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD2' HG21 ' A' ' 33' ' ' ILE . 1.1 t80 -90.84 -36.07 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -161.87 108.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.47 29.18 13.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.288 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.39 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.617 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -147.39 152.74 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 mtt -102.69 152.42 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.822 HD12 HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -161.08 140.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.398 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' ILE . 38.2 t -102.71 101.54 21.22 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.248 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 5.9 Cg_endo -48.73 -24.76 7.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.737 2.291 . . . . 0.0 112.671 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 10.9 tp10 -66.24 -72.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.5 p -80.61 -45.93 16.51 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.967 0.413 . . . . 0.0 110.339 179.242 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.93 46.52 1.36 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.415 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.74 166.31 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.711 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HD12 ' A' ' 33' ' ' ILE . 13.7 t -135.28 115.4 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.439 -179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' CG2' HD11 ' A' ' 39' ' ' LEU . 21.7 t -106.7 130.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.966 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.93 139.04 24.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.24 -31.56 55.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.06 106.71 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.04 131.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.74 80.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.25 131.64 47.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.9 p -168.69 111.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.15 -158.06 27.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -162.81 -44.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -114.01 22.94 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -111.07 89.56 3.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -130.24 -42.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.4 p -74.01 131.09 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -90.2 179.2 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -141.99 129.97 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -127.71 88.79 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.44 168.35 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -134.61 98.1 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 5' ' ' SER . 6.5 t -108.7 -47.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 4' ' ' THR . 9.6 m 59.15 -169.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -136.7 101.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -148.04 178.84 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -148.35 106.47 3.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' C ' HD13 ' A' ' 10' ' ' LEU . . . -92.81 151.69 19.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.052 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -153.33 145.78 17.26 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.875 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -81.74 66.59 8.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.674 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.18 101.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 12' ' ' ARG . 8.8 p 51.67 159.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.048 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.504 HG23 HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER 56.84 168.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.235 -179.853 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 23' ' ' LEU . 17.1 t -91.07 140.09 25.87 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.537 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.39 -41.19 78.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.43 2.087 . . . . 0.0 112.602 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -102.46 -2.05 29.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 37.5 m80 -136.08 78.92 45.61 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.77 -24.76 46.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -78.18 -46.07 21.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -100.3 111.35 23.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 14' ' ' THR . 1.2 pt -77.56 151.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.457 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -67.24 110.19 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.808 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 25' ' ' GLU . 14.9 t -55.4 160.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 24' ' ' VAL . 2.5 pt-20 -120.21 133.4 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.249 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 43.31 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.768 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.41 -70.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.33 20.66 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.91 -42.87 0.09 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.76 -47.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.93 174.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -86.63 159.02 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -156.9 134.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.127 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 t -88.46 134.66 33.87 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.801 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.7 Cg_endo -76.78 -1.1 11.2 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.38 2.054 . . . . 0.0 112.643 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 23.2 mm-40 -109.17 -76.95 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.106 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.7 p -69.51 -17.82 63.63 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.971 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 49.27 57.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.976 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.818 HD11 HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.1 172.28 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.609 0.243 . . . . 0.0 110.563 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 33' ' ' ILE . 20.4 t -141.47 110.85 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.556 ' CG2' HD11 ' A' ' 39' ' ' LEU . 21.7 t -92.07 121.01 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 167.04 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.61 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.17 175.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mmm-85 63.6 139.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.782 ' O ' HD13 ' A' ' 46' ' ' ILE . 58.5 t 51.82 64.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.782 HD13 ' O ' ' A' ' 45' ' ' VAL . 21.5 mm -139.27 32.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.08 149.9 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.2 -31.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.75 -93.14 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -86.55 160.35 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.28 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -67.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 174.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.8 m -154.13 140.2 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -79.51 89.59 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.5 t -172.99 151.75 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.06 34.85 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.767 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.31 117.74 23.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -162.48 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.594 ' HB ' HD13 ' A' ' 7' ' ' LEU . 48.0 p -129.54 169.7 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -135.87 124.25 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 7' ' ' LEU . 19.3 mtt-85 60.44 85.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 4' ' ' THR . 1.7 mp -142.54 160.72 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' HB3' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -97.48 178.18 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.77 36.97 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.1 pt? -81.01 153.94 72.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.92 99.35 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.573 2.182 . . . . 0.0 112.216 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.98 77.98 9.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.686 HG12 HG23 ' A' ' 14' ' ' THR . 21.6 t -128.08 155.07 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.686 HG23 HG12 ' A' ' 13' ' ' VAL . 14.6 p 54.83 -165.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.3 t -109.52 135.76 20.31 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.72 -28.08 68.58 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.45 2.1 . . . . 0.0 112.29 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.89 -9.45 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.8 m80 -130.95 75.2 78.97 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.8 -22.34 73.31 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.44 2.093 . . . . 0.0 112.104 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.53 27.23 7.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -136.86 99.35 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -79.37 115.32 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.52 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HD21 ' A' ' 39' ' ' LEU . 6.3 mp -57.55 157.7 6.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.211 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.87 152.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.219 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.82 120.3 23.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.71 -178.99 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -101.38 38.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -151.53 103.17 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.91 21.06 11.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.308 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.03 31.19 39.68 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.819 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.585 ' HB3' HG12 ' A' ' 40' ' ' VAL . 1.9 m-20 -70.02 142.55 52.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.689 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.3 mtt -88.83 131.88 34.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.758 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -111.47 126.27 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.246 -179.709 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.624 ' N ' HD13 ' A' ' 33' ' ' ILE . 44.3 t -90.91 113.2 57.25 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.234 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.88 -22.2 13.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.489 2.126 . . . . 0.0 112.903 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 80.6 mm-40 -81.76 -84.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.432 -179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.2 p -68.79 -22.81 64.25 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.675 0.274 . . . . 0.0 111.119 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 74.15 56.42 5.24 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.616 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.758 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.1 171.84 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -179.827 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 31' ' ' ASP . 8.4 t -140.44 68.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.65 HG23 ' CD1' ' A' ' 39' ' ' LEU . 40.0 t -121.64 114.83 44.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.75 80.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.24 159.11 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.747 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 130.05 38.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.76 144.7 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 46' ' ' ILE . 3.7 tt -94.41 51.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.32 167.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.668 HG22 ' H ' ' A' ' 50' ' ' SER . 12.7 p -108.99 138.57 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.94 -28.38 60.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.668 ' H ' HG22 ' A' ' 48' ' ' VAL . 94.4 p -88.37 99.12 12.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -31.81 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -124.45 30.74 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.9 113.5 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' THR . 9.1 t -173.86 60.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 60.13 74.88 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -113.3 141.03 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -99.22 -40.1 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 128.01 44.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.97 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -106.51 150.48 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 m -135.39 158.98 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -151.41 169.92 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -87.3 95.59 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.4 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.68 142.72 28.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -60.29 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -176.6 149.99 0.93 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.76 158.0 6.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.05 162.06 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.05 142.15 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.67 166.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' HB2' HD12 ' A' ' 23' ' ' LEU . 40.8 t -71.39 138.97 83.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 33.0 Cg_exo -61.33 -35.21 85.24 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.523 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -105.43 -6.17 19.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.868 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.1 m80 -130.47 80.8 69.56 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -63.81 -46.25 9.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.36 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.062 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -87.4 123.48 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.31 139.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.14 116.8 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 25' ' ' GLU . 16.0 t -57.77 160.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.711 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.477 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.6 mm-40 -106.54 106.34 16.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.25 142.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -177.03 102.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.3 ttt180 64.96 21.43 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 110.938 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 75.96 51.51 0.06 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.989 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.686 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -129.77 20.34 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.845 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.24 -154.88 0.35 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.712 0.256 . . . . 0.0 110.77 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -73.5 116.26 13.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 179.901 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -120.1 138.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.41 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 21.0 t -86.11 134.7 38.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.82 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.1 Cg_endo -76.02 -1.39 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.285 1.99 . . . . 0.0 112.531 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 5.5 mm-40 -110.28 -77.79 0.59 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.098 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' HD23 ' A' ' 39' ' ' LEU . 22.6 p -69.66 -12.95 62.04 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.43 54.41 38.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.962 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.774 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -99.4 172.22 7.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.63 -179.727 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 30' ' ' GLY . 28.9 t -134.7 113.52 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.774 ' CG2' HD11 ' A' ' 39' ' ' LEU . 22.7 t -102.59 110.37 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.803 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 164.3 53.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.69 -34.61 75.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -105.67 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 45' ' ' VAL . 15.4 t -140.62 31.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 47' ' ' ASP . 50.4 mm 58.55 160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.681 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.511 ' N ' HG22 ' A' ' 46' ' ' ILE . 6.8 m-20 72.18 161.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.85 179.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.294 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.22 -162.28 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.433 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.12 164.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.338 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -106.66 120.03 40.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -72.89 146.9 45.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -118.82 175.88 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -72.52 160.16 32.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.77 74.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -159.55 108.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -79.78 -56.8 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.5 149.81 47.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.8 -55.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -107.12 -42.43 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -103.49 110.29 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -123.68 32.53 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -174.49 122.55 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.49 153.33 44.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.57 54.35 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.1 tp -71.83 -53.61 6.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 10' ' ' LEU . 68.6 Cg_endo -75.12 70.33 5.4 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.357 -179.794 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.49 166.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 14' ' ' THR . 19.9 t -92.29 159.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.899 HG22 HG22 ' A' ' 22' ' ' ILE . 38.4 p -125.91 150.69 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.786 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 23' ' ' LEU . 42.3 t -62.65 135.77 95.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.75 -22.65 69.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.457 2.104 . . . . 0.0 112.59 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -115.99 -10.69 11.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.643 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 31.2 m80 -125.08 86.31 56.92 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.646 0.26 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.77 -27.98 25.74 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.517 2.145 . . . . 0.0 112.162 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.76 -69.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -78.56 110.92 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 14' ' ' THR . 10.7 pt -81.2 156.18 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.472 -179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mp -75.53 109.39 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.804 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 32' ' ' MET . 6.4 t -57.04 157.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 24' ' ' VAL . 18.3 tt0 -102.11 105.76 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.664 -179.358 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 61.48 90.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.51 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -100.77 54.39 0.86 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.074 179.108 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.29 110.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.816 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.0 33.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.001 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.583 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -138.94 7.46 3.24 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.364 -0.922 . . . . 0.0 113.513 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 52.01 -154.62 0.18 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.169 0.485 . . . . 0.0 110.662 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 25.5 mtt -79.58 117.66 20.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.585 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 HG22 ' A' ' 40' ' ' VAL . 2.2 pp -123.65 162.01 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 44.3 t -105.64 128.47 26.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.434 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.902 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 53.0 Cg_endo -69.45 -7.12 20.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.166 1.911 . . . . 0.0 112.795 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.837 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 7.6 mm-40 -101.21 -79.51 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.268 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.7 p -68.21 -23.69 64.85 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 72.01 54.88 7.64 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.096 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.792 HD11 HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -101.88 175.76 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.819 HG22 HG22 ' A' ' 33' ' ' ILE . 16.5 t -141.63 109.29 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.889 -179.369 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.792 HG23 HD11 ' A' ' 39' ' ' LEU . 38.7 t -102.58 135.14 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.651 179.211 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.18 24.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -92.96 -35.05 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.69 57.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -64.9 148.82 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 46' ' ' ILE . 3.3 mp -101.02 33.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.056 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -107.48 171.26 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.6 144.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -168.58 -118.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.06 173.54 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -98.23 -33.39 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -82.44 -50.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -78.35 75.48 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.1 p -147.4 -46.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -142.52 168.54 19.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.35 96.23 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.95 -27.61 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.55 -75.89 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.507 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.984 0.421 . . . . 0.0 111.217 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 23' ' ' LEU . 20.3 t -84.09 132.32 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.665 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 48.9 Cg_exo -55.83 -37.27 95.96 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.48 2.12 . . . . 0.0 112.542 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 73.3 m-20 -102.11 11.36 38.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.665 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.1 m80 -153.09 89.15 3.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' O ' HG21 ' A' ' 14' ' ' THR . 54.9 Cg_endo -69.99 -46.32 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.195 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.23 -38.32 90.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.829 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -93.49 122.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG1' HG23 ' A' ' 14' ' ' THR . 2.9 mt -104.6 134.76 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.314 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.894 HD11 HD21 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -59.18 112.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.744 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.904 HG22 HG22 ' A' ' 40' ' ' VAL . 1.9 pp . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 120.819 0.342 . . . . 0.0 111.737 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -100.44 136.51 19.96 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.829 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.3 Cg_endo -75.66 1.82 7.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 0.0 113.121 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 60.6 mm-40 -115.09 -77.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.029 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD23 ' A' ' 39' ' ' LEU . 19.6 p -68.39 -13.33 62.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.899 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 54.1 39.75 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.115 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.894 HD21 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -97.68 178.75 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.531 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG22 HG22 ' A' ' 33' ' ' ILE . 25.1 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.064 HG22 HG22 ' A' ' 22' ' ' ILE . 1.6 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.824 0.345 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.6 t -59.77 134.32 89.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.756 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.14 -20.76 49.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.444 2.096 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -114.79 -13.24 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.535 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.3 m80 -124.61 87.41 54.58 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.36 -41.56 20.39 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.604 2.203 . . . . 0.0 111.903 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -92.26 40.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -155.08 63.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.064 HG22 HG22 ' A' ' 14' ' ' THR . 24.0 pt -57.08 132.56 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -62.6 114.24 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.558 0.218 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.4 t -89.37 115.37 63.57 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.545 0.212 . . . . 0.0 110.765 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 16.3 Cg_endo -57.63 -19.16 36.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.394 2.063 . . . . 0.0 112.613 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -79.54 -83.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.036 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.703 ' SG ' HD23 ' A' ' 39' ' ' LEU . 8.0 p -67.39 -40.18 85.64 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.693 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 88.27 63.42 1.37 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.45 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.703 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -123.64 162.69 22.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 40' ' ' VAL . 14.6 p . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.883 0.373 . . . . 0.0 111.517 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.1 t -89.56 136.18 29.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.52 -26.38 62.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.432 2.088 . . . . 0.0 112.61 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -111.04 -9.54 14.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.718 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 33.0 m80 -127.61 83.48 65.95 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.2 -27.78 41.02 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.497 2.131 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -99.56 31.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -152.92 80.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tt -66.79 130.57 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.585 HD21 ' HG ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -61.55 113.04 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.823 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.727 179.663 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.587 0.232 . . . . 0.0 111.184 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 48.4 t -93.78 117.83 67.3 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.581 0.229 . . . . 0.0 111.089 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.63 -19.76 25.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.353 2.036 . . . . 0.0 112.691 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 10.9 mm-40 -87.99 -83.3 0.21 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.566 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 39' ' ' LEU . 24.6 p -69.61 -13.44 62.32 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.593 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 60.09 56.64 23.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.92 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -104.22 177.75 4.76 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' CD1' ' A' ' 22' ' ' ILE . 1.3 p . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.88 0.371 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.6 t -94.49 136.7 23.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.747 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.13 -33.45 61.22 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.488 2.126 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.64 -5.31 23.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.908 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.7 m80 -136.96 71.39 56.15 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.31 -57.94 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.438 2.092 . . . . 0.0 112.035 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.59 -40.08 90.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -82.6 88.06 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -78.72 137.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD23 ' CA ' ' A' ' 33' ' ' ILE . 5.0 mp -55.05 -178.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.745 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.905 ' CD1' HG22 ' A' ' 40' ' ' VAL . 32.9 mm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 45.0 t -91.18 130.93 38.27 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.59 0.233 . . . . 0.0 110.528 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.34 2.39 7.76 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.339 2.026 . . . . 0.0 113.044 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 8.1 mm-40 -108.9 -58.45 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.582 0.23 . . . . 0.0 111.016 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.713 ' SG ' HD23 ' A' ' 39' ' ' LEU . 25.4 p -97.18 -16.56 20.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.488 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.71 53.56 23.32 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.668 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.713 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -105.33 168.7 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 33' ' ' ILE . 22.0 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.331 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.4 ' CG2' HG12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.924 0.392 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.2 t -86.61 135.9 35.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.78 -30.9 33.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.378 2.052 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.97 -6.11 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 34.8 m80 -134.57 75.94 62.21 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 -24.51 30.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.506 2.137 . . . . 0.0 112.414 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -72.96 -33.23 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 14' ' ' THR . 3.6 mt -128.21 141.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.11 107.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.49 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.615 0.245 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -99.08 107.46 44.29 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.7 -23.19 14.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.378 2.052 . . . . 0.0 112.532 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 6.3 mm-40 -75.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.841 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.1 p -75.54 -38.59 59.22 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 92.75 49.15 2.78 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.834 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' SG ' ' A' ' 37' ' ' CYS . 1.3 pp -100.43 -178.3 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.797 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.607 ' N ' HD12 ' A' ' 39' ' ' LEU . 18.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 52.1 t -82.39 135.91 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.96 -29.68 57.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.399 2.066 . . . . 0.0 112.392 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.79 -8.26 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.514 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.4 m80 -131.31 77.56 73.91 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.662 0.268 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.67 -32.27 30.87 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.455 2.103 . . . . 0.0 112.205 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.41 -30.59 66.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.7 179.87 5.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 22' ' ' ILE . 2.5 tt -147.37 124.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -66.95 105.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.897 ' CD1' HG22 ' A' ' 40' ' ' VAL . 30.2 mm . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.548 0.213 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 49.7 t -95.91 122.7 57.8 Favored Pre-proline 0 C--N 1.333 -0.15 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.0 -10.34 25.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.189 1.926 . . . . 0.0 112.933 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mm-40 -96.05 -77.39 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.285 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' HD23 ' A' ' 39' ' ' LEU . 20.3 p -73.5 -19.02 61.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.4 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.25 52.16 33.47 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.587 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.49 174.96 5.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.548 0.213 . . . . 0.0 110.468 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.897 HG22 ' CD1' ' A' ' 33' ' ' ILE . 11.9 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.306 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.857 0.361 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.8 t -96.55 139.66 21.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.64 -36.66 91.63 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.719 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -105.92 -4.69 20.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.869 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.9 m80 -132.21 79.19 66.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.75 -28.15 37.21 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.81 -69.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.745 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -76.45 119.06 19.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.3 149.66 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.234 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD21 HD21 ' A' ' 39' ' ' LEU . 7.8 mp -58.32 133.91 56.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.749 HG22 HG22 ' A' ' 40' ' ' VAL . 1.7 pp . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.541 0.21 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HB2' HD23 ' A' ' 39' ' ' LEU . 27.7 t -94.67 134.63 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.745 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.3 Cg_endo -74.28 -3.26 13.53 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.372 2.048 . . . . 0.0 112.699 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 16.0 mm-40 -110.24 -78.0 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 23.8 p -68.68 -21.62 64.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.005 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 73.09 55.34 6.36 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.056 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 40' ' ' VAL . 1.1 pp -93.23 -179.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.815 ' N ' HD12 ' A' ' 39' ' ' LEU . 29.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.314 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.1 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.8 t -97.34 137.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 25.4 Cg_exo -62.58 -27.31 76.39 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.552 2.168 . . . . 0.0 112.527 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.01 -10.77 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.673 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.667 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.6 m80 -127.26 73.6 77.32 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -56.75 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.624 2.216 . . . . 0.0 112.18 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.14 -41.43 96.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -87.51 76.5 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.9 mt -71.37 142.47 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 HD21 ' A' ' 39' ' ' LEU . 10.8 mp -47.93 169.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.654 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.815 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.616 0.246 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 33' ' ' ILE . 39.5 t -90.28 119.73 69.18 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.49 -13.83 31.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.572 2.182 . . . . 0.0 113.149 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 62.3 mm-40 -92.0 -81.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.269 -0.172 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.595 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.3 p -66.07 -27.86 68.4 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.721 0.295 . . . . 0.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.89 47.96 8.15 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.941 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 HD21 HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -94.0 172.43 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.2 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.329 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 19.2 t -76.98 127.2 84.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.68 -25.76 69.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.416 2.077 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.98 -20.63 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.309 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 37.3 m80 -121.19 73.71 27.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.02 -38.47 16.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.591 2.194 . . . . 0.0 112.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.9 -31.8 70.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.716 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . . . -100.78 131.97 46.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.58 135.15 42.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 6.5 mp -56.54 112.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.699 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.59 0.233 . . . . 0.0 111.171 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 16.2 t -87.85 113.09 53.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.387 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 12.8 Cg_endo -56.69 -21.75 40.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -70.39 -71.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.672 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.1 p -87.64 -45.46 10.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 110.804 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.56 53.31 0.99 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.401 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.66 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.84 167.9 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.009 0.433 . . . . 0.0 111.948 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.863 0.363 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.6 t -101.34 136.72 19.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.69 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -33.4 63.18 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.407 2.072 . . . . 0.0 112.495 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -103.03 -4.9 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.9 m80 -137.75 73.26 47.66 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.752 0.311 . . . . 0.0 110.742 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.47 -23.6 43.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.277 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.32 -39.14 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 149.67 21.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.67 136.11 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.069 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.779 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -58.89 100.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.599 0.238 . . . . 0.0 111.086 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' HG13 ' A' ' 33' ' ' ILE . 45.3 t -96.91 108.87 46.06 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.17 -23.98 14.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.583 2.188 . . . . 0.0 112.951 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 20.2 mm-40 -74.09 -80.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.687 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.2 p -72.66 -41.91 64.91 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.589 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.84 51.68 1.91 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.158 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.779 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.59 172.42 6.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 33' ' ' ILE . 21.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 111.299 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.909 0.385 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' LEU . 15.0 t -107.32 140.12 21.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.0 -41.46 76.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.578 2.185 . . . . 0.0 112.793 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -102.4 -3.68 26.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.882 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.5 m80 -131.78 86.06 49.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.673 0.273 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.82 -26.58 59.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.557 2.171 . . . . 0.0 112.12 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -41.51 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.705 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -65.67 171.38 4.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 108.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.309 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.072 HD11 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -58.4 98.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.517 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.18 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.688 0.28 . . . . 0.0 111.207 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 53.9 t -96.22 118.53 65.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 26.8 Cg_endo -62.17 -12.17 25.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.929 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 18' ' ' HIS . 6.8 tp10 -89.99 -75.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.43 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.7 ' SG ' HD23 ' A' ' 39' ' ' LEU . 9.0 p -74.64 -24.13 58.78 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.66 45.38 17.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.114 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.072 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -93.8 170.19 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.643 0.258 . . . . 0.0 110.467 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.0 t -74.34 136.0 75.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.689 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.51 -29.04 53.27 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.491 2.127 . . . . 0.0 112.541 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.78 -7.52 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.544 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 31.8 m80 -130.04 86.52 54.24 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.712 0.291 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -20.05 33.77 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.546 2.164 . . . . 0.0 112.245 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.31 24.99 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.35 153.47 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.87 128.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.234 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -57.31 102.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.33 -179.717 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.678 0.275 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 21.7 t -99.94 105.43 34.9 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.502 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.05 -24.84 8.13 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.507 2.138 . . . . 0.0 112.61 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -68.38 -77.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.8 p -77.74 -43.04 32.13 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.97 0.414 . . . . 0.0 110.346 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 52.41 1.43 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -106.76 166.96 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 33' ' ' ILE . 18.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.524 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 22' ' ' ILE . 1.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.5 t -71.51 135.77 83.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.804 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.62 -25.92 61.75 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.442 2.095 . . . . 0.0 112.452 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.85 -13.7 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m80 -121.71 83.8 42.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.39 -28.97 54.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.403 2.068 . . . . 0.0 111.935 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -79.06 -45.41 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.78 ' O ' HD13 ' A' ' 22' ' ' ILE . . . -71.35 166.89 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.78 HD13 ' O ' ' A' ' 21' ' ' ALA . 24.4 mm -139.91 122.97 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 39' ' ' LEU . 10.7 mp -57.9 119.63 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.578 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.101 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 39' ' ' LEU . 1.8 pp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.593 0.235 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.2 t -97.52 127.79 36.7 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.85 58.23 5.97 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.097 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 25.8 tp10 -167.33 -70.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.319 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -82.47 -25.37 33.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.897 0.379 . . . . 0.0 110.025 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.44 53.89 4.91 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.651 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.75 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -100.0 169.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 33' ' ' ILE . 21.3 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.467 HG22 HG13 ' A' ' 22' ' ' ILE . 24.8 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.6 t -75.84 134.86 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.99 -23.4 46.76 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.356 2.037 . . . . 0.0 112.432 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -110.41 -20.13 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 35.9 m80 -117.44 72.58 7.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.19 -29.5 47.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.47 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.75 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -81.41 111.29 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.467 HG13 HG22 ' A' ' 14' ' ' THR . 5.1 tt -80.71 139.04 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 39' ' ' LEU . 4.0 mp -58.1 106.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.001 HD12 HG22 ' A' ' 40' ' ' VAL . 41.5 mm . . . . . 0 C--O 1.227 -0.089 0 CA-C-O 120.594 0.235 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 34.3 t -96.33 109.63 48.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.59 -21.72 15.12 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.75 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 3.1 mm-40 -81.35 -82.93 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.295 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.6 p -69.67 -30.59 68.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 82.15 49.41 5.29 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.609 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -94.88 175.49 6.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.001 HG22 HD12 ' A' ' 33' ' ' ILE . 21.2 t . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 0.0 111.48 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.549 HG22 HG13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.712 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.6 t -60.23 134.93 90.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.03 -25.43 51.55 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.494 2.13 . . . . 0.0 112.497 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -9.26 14.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.2 m80 -129.21 80.37 72.58 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.758 0.313 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.97 -43.67 6.33 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.6 2.2 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -94.21 84.32 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.549 HG13 HG22 ' A' ' 14' ' ' THR . 14.9 tt -67.2 142.68 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.186 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD21 HD11 ' A' ' 39' ' ' LEU . 6.8 mp -54.41 152.42 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.756 HG23 ' HD3' ' A' ' 35' ' ' PRO . 17.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.808 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.626 0.251 . . . . 0.0 111.447 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.808 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -90.03 118.12 68.63 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.627 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.756 ' HD3' HG23 ' A' ' 24' ' ' VAL . 16.3 Cg_endo -57.56 -17.04 26.36 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 113.289 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -90.0 -81.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.434 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.43 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 21.1 p -67.77 -25.56 65.68 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.206 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.43 48.38 8.16 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.77 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -89.01 174.58 7.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.538 0.208 . . . . 0.0 110.564 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' N ' HD12 ' A' ' 39' ' ' LEU . 33.4 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.139 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.007 HG23 HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.5 t -57.36 135.54 81.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.09 -28.34 48.98 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.669 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -106.43 -10.47 16.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.54 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.78 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 30.3 m80 -126.19 85.82 59.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.052 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 -36.88 9.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.528 2.152 . . . . 0.0 111.98 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 6.0 38.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.78 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -137.59 83.15 1.97 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.74 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.007 HD12 HG23 ' A' ' 14' ' ' THR . 1.7 tt -67.81 137.08 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -55.25 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 35' ' ' PRO . 16.6 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.522 0.201 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.871 ' N ' HD13 ' A' ' 33' ' ' ILE . 45.2 t -87.47 123.57 69.37 Favored Pre-proline 0 C--N 1.334 -0.105 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HD3' HG23 ' A' ' 24' ' ' VAL . 46.8 Cg_endo -68.57 -4.94 14.07 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.458 2.105 . . . . 0.0 112.967 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 22.2 tp10 -100.47 -71.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.41 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.767 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.0 p -78.16 -27.32 48.08 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.927 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 79.83 46.55 7.73 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.517 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -95.62 176.49 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.59 0.233 . . . . 0.0 110.831 -179.542 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.541 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.2 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.294 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 23' ' ' LEU . 10.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 54.1 t -121.46 131.5 24.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.77 -29.27 70.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 18' ' ' HIS . 5.9 p-10 -110.99 -8.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.678 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 38.1 m80 -133.75 71.28 74.87 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.23 -51.62 7.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.472 2.115 . . . . 0.0 112.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -43.62 75.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -90.01 109.21 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.32 139.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.552 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -61.52 109.59 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.68 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.608 HG23 ' HD3' ' A' ' 35' ' ' PRO . 20.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.614 0.245 . . . . 0.0 111.27 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.709 ' N ' HD13 ' A' ' 33' ' ' ILE . 53.8 t -90.56 112.28 52.23 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.588 0.232 . . . . 0.0 110.794 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 24' ' ' VAL . 54.0 Cg_exo -52.15 -21.38 12.71 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.908 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.2 mm-40 -82.14 -84.4 0.12 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.362 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' HD23 ' A' ' 39' ' ' LEU . 10.3 p -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 50.86 5.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.096 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.87 170.13 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.358 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.939 0.4 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.3 t -96.9 138.29 21.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.646 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 43.1 Cg_exo -56.78 -31.97 90.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.553 2.169 . . . . 0.0 112.743 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -112.96 -6.89 13.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.833 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.8 m80 -128.38 78.7 75.28 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.82 -23.16 41.91 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.477 2.118 . . . . 0.0 112.256 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.83 -31.1 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' HIS . . . -60.65 -172.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.42 91.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -63.47 78.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 179.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.456 -179.76 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.545 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.658 0.266 . . . . 0.0 111.251 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' LEU . 29.2 t -97.11 113.98 63.96 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 11.2 Cg_endo -54.92 -21.23 25.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.309 2.006 . . . . 0.0 112.325 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -76.73 -79.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.701 ' SG ' HD23 ' A' ' 39' ' ' LEU . 13.5 p -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.637 0.256 . . . . 0.0 111.328 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 75.2 44.1 23.87 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.675 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.701 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -89.77 174.71 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.611 0.243 . . . . 0.0 110.481 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.5 t -107.67 138.24 19.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.47 -43.48 27.47 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.568 2.179 . . . . 0.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -4.55 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 39.2 m80 -140.27 74.12 30.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.731 0.301 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.97 -25.25 77.66 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.619 2.213 . . . . 0.0 112.303 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -82.88 -40.38 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.6 112.0 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -82.9 140.95 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.4 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.906 HD11 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.59 100.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.655 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.995 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.659 0.266 . . . . 0.0 111.14 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.6 t -96.11 111.51 56.61 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.81 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.31 -22.21 11.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.581 2.187 . . . . 0.0 112.932 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 17.1 mm-40 -81.41 -83.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.566 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.1 p -66.66 -23.75 66.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.88 50.26 14.22 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.191 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -97.35 171.55 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.245 -179.898 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.845 ' HA ' HG23 ' A' ' 22' ' ' ILE . 7.2 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.947 0.404 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 43.9 t -68.1 135.07 91.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.07 -24.81 59.23 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.491 2.127 . . . . 0.0 112.528 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -112.35 -9.38 13.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.554 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.6 m80 -129.36 81.82 69.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.713 0.292 . . . . 0.0 111.065 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.55 -32.32 48.88 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.547 2.165 . . . . 0.0 112.223 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.18 -39.68 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.09 105.98 16.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.845 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.4 mp -83.61 138.49 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 15' ' ' CYS . 4.9 mp -53.09 110.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.601 HG23 ' HD3' ' A' ' 35' ' ' PRO . 21.3 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.568 HD13 ' C ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.653 0.264 . . . . 0.0 111.188 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' N ' HD13 ' A' ' 33' ' ' ILE . 20.0 t -90.22 113.84 58.81 Favored Pre-proline 0 CA--C 1.528 0.126 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.601 ' HD3' HG23 ' A' ' 24' ' ' VAL . 19.0 Cg_endo -58.39 -19.89 45.69 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.479 2.12 . . . . 0.0 112.486 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -72.36 -78.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.764 ' SG ' HD23 ' A' ' 39' ' ' LEU . 5.9 p -72.68 -29.2 63.21 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.378 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.7 53.84 4.83 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.302 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.764 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -114.23 160.73 18.7 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.3 p . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.531 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.028 HG22 HG22 ' A' ' 22' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' LEU . 53.3 t -58.17 135.3 84.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.17 -30.27 38.2 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.461 2.107 . . . . 0.0 112.434 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -103.51 -6.21 22.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.524 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 31.6 m80 -132.81 90.51 32.03 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.645 0.26 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.93 -26.02 44.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.367 2.044 . . . . 0.0 112.221 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.32 -48.64 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -78.05 113.84 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.028 HG22 HG22 ' A' ' 14' ' ' THR . 10.6 pt -89.96 132.86 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mp -58.67 104.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.078 179.987 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.822 HD12 HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 111.398 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' ILE . 38.2 t -102.71 101.54 21.22 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.248 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 5.9 Cg_endo -48.73 -24.76 7.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.737 2.291 . . . . 0.0 112.671 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 10.9 tp10 -66.24 -72.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.5 p -80.61 -45.93 16.51 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.967 0.413 . . . . 0.0 110.339 179.242 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.93 46.52 1.36 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.415 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.74 166.31 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.711 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HD12 ' A' ' 33' ' ' ILE . 13.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.439 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.504 HG23 HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.235 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 23' ' ' LEU . 17.1 t -91.07 140.09 25.87 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.537 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.39 -41.19 78.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.43 2.087 . . . . 0.0 112.602 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -102.46 -2.05 29.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 37.5 m80 -136.08 78.92 45.61 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.77 -24.76 46.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -78.18 -46.07 21.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -100.3 111.35 23.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 14' ' ' THR . 1.2 pt -77.56 151.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.457 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -67.24 110.19 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.808 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.668 0.27 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 t -88.46 134.66 33.87 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.801 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.7 Cg_endo -76.78 -1.1 11.2 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.38 2.054 . . . . 0.0 112.643 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 23.2 mm-40 -109.17 -76.95 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.106 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.7 p -69.51 -17.82 63.63 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.971 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 49.27 57.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.976 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.818 HD11 HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.1 172.28 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.609 0.243 . . . . 0.0 110.563 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 33' ' ' ILE . 20.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.798 0.332 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.3 t -109.52 135.76 20.31 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.72 -28.08 68.58 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.45 2.1 . . . . 0.0 112.29 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.89 -9.45 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.8 m80 -130.95 75.2 78.97 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.8 -22.34 73.31 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.44 2.093 . . . . 0.0 112.104 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.53 27.23 7.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -136.86 99.35 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -79.37 115.32 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.52 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HD21 ' A' ' 39' ' ' LEU . 6.3 mp -57.55 157.7 6.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.211 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.219 -179.792 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.758 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.624 0.25 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.624 ' N ' HD13 ' A' ' 33' ' ' ILE . 44.3 t -90.91 113.2 57.25 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.234 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.88 -22.2 13.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.489 2.126 . . . . 0.0 112.903 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 80.6 mm-40 -81.76 -84.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.432 -179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.2 p -68.79 -22.81 64.25 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.675 0.274 . . . . 0.0 111.119 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 74.15 56.42 5.24 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.616 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.758 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.1 171.84 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -179.827 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' HB2' HD12 ' A' ' 23' ' ' LEU . 40.8 t -71.39 138.97 83.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 33.0 Cg_exo -61.33 -35.21 85.24 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.523 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -105.43 -6.17 19.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.868 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.1 m80 -130.47 80.8 69.56 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -63.81 -46.25 9.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.36 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.062 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -87.4 123.48 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.31 139.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.14 116.8 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.711 179.574 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.623 0.249 . . . . 0.0 111.41 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 21.0 t -86.11 134.7 38.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.82 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.1 Cg_endo -76.02 -1.39 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.285 1.99 . . . . 0.0 112.531 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 5.5 mm-40 -110.28 -77.79 0.59 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.098 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' HD23 ' A' ' 39' ' ' LEU . 22.6 p -69.66 -12.95 62.04 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.43 54.41 38.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.962 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -99.4 172.22 7.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.63 -179.727 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.554 ' N ' HD12 ' A' ' 39' ' ' LEU . 28.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.319 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.899 HG22 HG22 ' A' ' 22' ' ' ILE . 38.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 23' ' ' LEU . 42.3 t -62.65 135.77 95.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.75 -22.65 69.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.457 2.104 . . . . 0.0 112.59 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -115.99 -10.69 11.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.643 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 31.2 m80 -125.08 86.31 56.92 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.646 0.26 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.77 -27.98 25.74 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.517 2.145 . . . . 0.0 112.162 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.76 -69.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -78.56 110.92 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 14' ' ' THR . 10.7 pt -81.2 156.18 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.472 -179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mp -75.53 109.39 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.804 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.33 -0.252 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 179.348 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 HG22 ' A' ' 40' ' ' VAL . 2.2 pp . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.428 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 44.3 t -105.64 128.47 26.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.434 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.902 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 53.0 Cg_endo -69.45 -7.12 20.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.166 1.911 . . . . 0.0 112.795 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.837 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 7.6 mm-40 -101.21 -79.51 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.268 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.7 p -68.21 -23.69 64.85 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 72.01 54.88 7.64 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.096 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -101.88 175.76 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.819 HG22 HG22 ' A' ' 33' ' ' ILE . 16.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.889 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -67.82 -30.56 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 p -59.31 -31.26 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -91.79 112.78 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -71.96 -60.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.44 125.02 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -110.94 -30.0 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.93 80.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -77.45 -61.03 0.68 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 10' ' ' LEU . 63.9 Cg_endo -73.74 130.92 15.21 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.589 2.193 . . . . 0.0 112.434 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -93.1 118.52 31.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.6 m -72.92 101.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.507 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 61.67 177.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 23' ' ' LEU . 20.3 t -84.09 132.32 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.665 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 48.9 Cg_exo -55.83 -37.27 95.96 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.48 2.12 . . . . 0.0 112.542 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 73.3 m-20 -102.11 11.36 38.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.665 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.1 m80 -153.09 89.15 3.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.702 0.287 . . . . 0.0 110.976 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' O ' HG21 ' A' ' 14' ' ' THR . 54.9 Cg_endo -69.99 -46.32 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.195 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.23 -38.32 90.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.829 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -93.49 122.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG1' HG23 ' A' ' 14' ' ' THR . 2.9 mt -104.6 134.76 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.314 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.894 HD11 HD21 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -59.18 112.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.573 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 32' ' ' MET . 6.5 t -75.75 157.71 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 24' ' ' VAL . 63.4 tt0 -123.17 145.25 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -81.24 -164.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.48 -29.25 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.528 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.1 OUTLIER 172.04 122.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.205 0.526 . . . . 0.0 110.406 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 75.52 27.67 1.01 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 26' ' ' ASP . . . -118.55 -16.06 5.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.77 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 67.48 -173.05 0.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.502 ' O ' HD23 ' A' ' 23' ' ' LEU . 26.2 mtm -117.32 118.31 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.702 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.904 HG22 HG22 ' A' ' 40' ' ' VAL . 1.9 pp -111.21 155.91 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.819 0.342 . . . . 0.0 111.737 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.2 t -100.44 136.51 19.96 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.576 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.829 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.3 Cg_endo -75.66 1.82 7.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 0.0 113.121 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 60.6 mm-40 -115.09 -77.77 0.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.795 -0.184 . . . . 0.0 111.029 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD23 ' A' ' 39' ' ' LEU . 19.6 p -68.39 -13.33 62.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.899 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.84 54.1 39.75 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.115 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.894 HD21 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -97.68 178.75 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.531 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG22 HG22 ' A' ' 33' ' ' ILE . 25.1 t -146.27 92.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 23' ' ' LEU . 14.9 p -98.53 130.75 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.24 65.48 1.02 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -88.17 -31.54 19.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.15 169.82 16.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.42 102.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 46' ' ' ILE . 1.4 tt -59.64 93.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.62 91.45 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.88 82.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.59 92.97 1.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.54 33.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' ARG . 7.6 mm-40 -126.05 11.27 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 66.96 -66.26 0.19 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.762 0.315 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER 68.26 86.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 m -157.71 166.65 32.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -90.12 59.71 4.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.8 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m 62.62 148.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.52 156.4 38.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -87.48 -32.27 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.778 0.323 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -122.92 -44.64 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.545 ' HB ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -104.05 -41.98 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.74 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 63.53 133.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 4' ' ' THR . 2.2 pp -171.69 47.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.97 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.27 -172.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -62.02 -51.08 77.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 10' ' ' LEU . 28.0 Cg_exo -62.0 150.98 84.23 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.551 2.168 . . . . 0.0 112.123 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -141.76 173.8 11.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 13' ' ' VAL . 19.8 t -92.36 48.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.064 HG22 HG22 ' A' ' 22' ' ' ILE . 1.6 p -147.13 157.47 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 32.6 t -59.77 134.32 89.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.756 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.14 -20.76 49.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.444 2.096 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -114.79 -13.24 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.535 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.3 m80 -124.61 87.41 54.58 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -64.36 -41.56 20.39 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.604 2.203 . . . . 0.0 111.903 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -92.26 40.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -155.08 63.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.064 HG22 HG22 ' A' ' 14' ' ' THR . 24.0 pt -57.08 132.56 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -62.6 114.24 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 25' ' ' GLU . 13.5 t -78.66 159.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -87.43 158.19 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -87.65 -164.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -53.49 -60.09 3.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.316 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.45 18.84 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 111.498 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HG2' ' A' ' 25' ' ' GLU . . . 51.6 25.75 2.95 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.479 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.22 -29.29 74.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.262 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -151.53 158.95 44.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.605 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . 8.1 mtt -99.02 171.79 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -158.5 132.69 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.4 t -89.37 115.37 63.57 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.545 0.212 . . . . 0.0 110.765 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 16.3 Cg_endo -57.63 -19.16 36.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.394 2.063 . . . . 0.0 112.613 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -79.54 -83.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.036 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.703 ' SG ' HD23 ' A' ' 39' ' ' LEU . 8.0 p -67.39 -40.18 85.64 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.693 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 88.27 63.42 1.37 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.45 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.703 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -123.64 162.69 22.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 40' ' ' VAL . 14.6 p -109.78 120.71 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.883 0.373 . . . . 0.0 111.517 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 39' ' ' LEU . 19.8 t -124.32 90.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.995 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.0 156.03 29.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.405 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.79 -30.54 67.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -66.38 96.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.1 p -146.56 60.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.7 mt -85.16 72.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.43 82.79 1.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.57 128.72 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.0 151.14 51.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.58 179.98 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.73 26.93 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -92.53 98.59 11.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 63.8 132.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.8 p -80.31 -176.36 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 60.85 -171.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 p 62.21 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 59.45 98.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -138.45 -55.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -98.52 97.05 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 m -131.04 -66.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -162.84 -66.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -148.94 -62.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.07 133.32 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -136.4 89.9 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.85 35.45 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.17 118.89 48.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.47 79.77 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.408 2.072 . . . . 0.0 112.235 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 ttp-105 -101.62 59.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 m -63.67 81.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.0 -177.43 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.215 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.1 t -89.56 136.18 29.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.52 -26.38 62.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.432 2.088 . . . . 0.0 112.61 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -111.04 -9.54 14.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.718 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 33.0 m80 -127.61 83.48 65.95 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.2 -27.78 41.02 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.497 2.131 . . . . 0.0 112.203 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -99.56 31.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -152.92 80.76 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tt -66.79 130.57 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.704 ' CD2' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -61.55 113.04 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.823 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 25' ' ' GLU . 14.1 t -63.78 160.4 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 24' ' ' VAL . 5.7 pt-20 -107.94 137.65 45.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 42.68 93.29 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.563 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -117.56 -61.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.5 20.59 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.134 0.492 . . . . 0.0 111.351 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.4 -44.71 0.1 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.226 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.78 -37.32 1.99 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -82.36 -168.69 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.9 mtm -83.95 155.85 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.83 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -152.26 139.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 48.4 t -93.78 117.83 67.3 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.581 0.229 . . . . 0.0 111.089 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.63 -19.76 25.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.353 2.036 . . . . 0.0 112.691 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 10.9 mm-40 -87.99 -83.3 0.21 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.566 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 39' ' ' LEU . 24.6 p -69.61 -13.44 62.32 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.593 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 60.09 56.64 23.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.232 -0.985 . . . . 0.0 111.92 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.719 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -104.22 177.75 4.76 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.3 t -130.63 112.51 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.719 ' CG2' HD11 ' A' ' 39' ' ' LEU . 34.2 t -104.54 133.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.74 166.96 39.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.556 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -170.7 83.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 86.46 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 45' ' ' VAL . 12.6 p -137.77 42.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 46' ' ' ILE . 3.0 mt -93.95 59.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -77.67 95.6 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.6 m -97.48 30.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.54 -81.21 0.53 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.05 147.73 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.47 -46.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -113.53 30.37 7.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.959 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -34.57 5.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.47 -176.94 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -83.12 -42.27 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m 60.52 169.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.02 131.23 49.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -99.55 -42.33 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.826 0.346 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.23 33.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -112.33 -31.59 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t 60.84 79.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.25 114.06 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.93 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.65 79.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.45 141.73 41.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.96 147.88 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.79 138.47 26.28 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.609 2.206 . . . . 0.0 112.503 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -105.42 85.47 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.931 HG13 HG23 ' A' ' 14' ' ' THR . 11.7 p -102.71 161.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.931 HG23 HG13 ' A' ' 13' ' ' VAL . 1.3 p 72.04 175.31 0.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.6 t -94.49 136.7 23.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.747 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.13 -33.45 61.22 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.488 2.126 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.64 -5.31 23.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.908 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.7 m80 -136.96 71.39 56.15 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.31 -57.94 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.438 2.092 . . . . 0.0 112.035 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.59 -40.08 90.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -82.6 88.06 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -78.72 137.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' CD2' HG23 ' A' ' 41' ' ' VAL . 5.0 mp -55.05 -178.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.745 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 25' ' ' GLU . 17.8 t -141.87 160.07 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 14.8 mt-10 -73.76 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.56 -168.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -95.14 71.74 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 21.2 mmt85 62.44 108.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' ARG . . . 177.87 -37.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.39 27.51 5.52 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.63 160.46 41.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.489 ' O ' HD13 ' A' ' 33' ' ' ILE . 2.5 mtt -117.48 171.44 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.591 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.905 ' CD1' HG22 ' A' ' 40' ' ' VAL . 32.9 mm -141.25 145.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.242 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 45.0 t -91.18 130.93 38.27 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.59 0.233 . . . . 0.0 110.528 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.34 2.39 7.76 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.339 2.026 . . . . 0.0 113.044 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 8.1 mm-40 -108.9 -58.45 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.582 0.23 . . . . 0.0 111.016 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.713 ' SG ' HD23 ' A' ' 39' ' ' LEU . 25.4 p -97.18 -16.56 20.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.488 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.71 53.56 23.32 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.668 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -105.33 168.7 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.905 HG22 ' CD1' ' A' ' 33' ' ' ILE . 22.0 t -119.28 116.25 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.331 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 39' ' ' LEU . 28.5 t -109.02 132.14 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.12 169.6 39.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -176.99 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -60.77 178.92 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.93 119.07 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.2 mm -78.84 78.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.89 173.24 6.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.36 153.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.85 -44.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.7 m -132.35 176.44 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.808 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.25 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -112.11 170.41 8.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 61.9 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -136.21 161.28 36.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.84 104.47 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.3 t -131.88 108.37 9.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -76.29 149.11 37.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -90.99 144.78 25.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.823 0.344 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 155.76 31.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.2 m 60.08 95.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -168.22 -54.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -102.42 172.11 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.14 84.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -91.55 -178.92 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.84 -174.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.84 135.27 67.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.07 106.4 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.517 2.145 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -82.07 -164.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.8 t 59.93 110.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.4 ' CG2' HG12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -116.75 -174.95 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.036 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 51.2 t -86.61 135.9 35.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.78 -30.9 33.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.378 2.052 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.97 -6.11 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 34.8 m80 -134.57 75.94 62.21 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 -24.51 30.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.506 2.137 . . . . 0.0 112.414 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -72.96 -33.23 65.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 14' ' ' THR . 3.6 mt -128.21 141.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.073 HD22 HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -63.11 107.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 25' ' ' GLU . 14.3 t -62.42 159.95 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 24' ' ' VAL . 14.0 mt-10 -102.55 138.93 38.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.47 -176.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -36.32 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.58 -134.76 0.32 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.91 40.08 1.05 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.92 15.36 59.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.409 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 61.46 -177.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.712 0.291 . . . . 0.0 110.817 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.76 158.1 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.735 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.49 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -139.37 148.18 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -99.08 107.46 44.29 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.7 -23.19 14.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.378 2.052 . . . . 0.0 112.532 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 6.3 mm-40 -75.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.841 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.1 p -75.54 -38.59 59.22 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.906 0.384 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 92.75 49.15 2.78 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.834 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' SG ' ' A' ' 37' ' ' CYS . 1.3 pp -100.43 -178.3 3.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.671 0.272 . . . . 0.0 110.797 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.607 ' N ' HD12 ' A' ' 39' ' ' LEU . 18.8 t -135.85 108.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.073 HG12 HD22 ' A' ' 23' ' ' LEU . 13.4 p -106.85 134.61 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.06 17.27 14.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.762 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -71.01 174.72 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.758 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -88.08 76.94 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 p -168.24 140.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 46' ' ' ILE . 7.6 tt -143.6 62.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -171.73 41.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 m -61.53 -30.64 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.32 161.51 13.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t 63.36 140.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -142.52 103.84 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -33.96 6.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 96.06 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.03 52.65 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -100.53 32.38 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.72 163.86 27.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.4 149.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.42 31.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 171.58 11.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -108.06 151.1 26.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -137.92 36.46 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -145.6 168.84 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.04 144.62 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -156.22 149.7 24.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.96 42.86 9.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -86.53 -53.26 0.42 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 10' ' ' LEU . 94.5 Cg_endo -85.98 172.3 7.6 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.79 2.327 . . . . 0.0 112.679 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.03 174.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 14' ' ' THR . 19.5 t -103.53 159.34 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.482 ' N ' HG12 ' A' ' 13' ' ' VAL . 69.9 p -97.96 -177.05 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 52.1 t -82.39 135.91 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.96 -29.68 57.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.399 2.066 . . . . 0.0 112.392 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.79 -8.26 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.514 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.4 m80 -131.31 77.56 73.91 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.662 0.268 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.67 -32.27 30.87 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.455 2.103 . . . . 0.0 112.205 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.41 -30.59 66.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.7 179.87 5.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' ILE . 2.5 tt -147.37 124.85 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.783 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -66.95 105.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.649 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -58.05 -165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.649 ' N ' HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -151.2 168.13 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.873 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.33 90.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.978 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.28 -63.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 19.88 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.226 0.536 . . . . 0.0 111.224 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 179.31 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.15 48.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.364 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -114.81 169.72 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp -102.29 152.06 21.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.897 ' CD1' HG22 ' A' ' 40' ' ' VAL . 30.2 mm -145.94 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.073 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 49.7 t -95.91 122.7 57.8 Favored Pre-proline 0 C--N 1.333 -0.15 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.0 -10.34 25.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.189 1.926 . . . . 0.0 112.933 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mm-40 -96.05 -77.39 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.285 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.753 ' SG ' HD23 ' A' ' 39' ' ' LEU . 20.3 p -73.5 -19.02 61.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.4 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 67.25 52.16 33.47 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.587 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.49 174.96 5.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.548 0.213 . . . . 0.0 110.468 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.897 HG22 ' CD1' ' A' ' 33' ' ' ILE . 11.9 t -133.21 111.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.306 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.681 ' CG2' HD11 ' A' ' 39' ' ' LEU . 37.9 t -96.95 133.31 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.35 38.81 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' HB2' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -121.2 114.58 21.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -101.72 98.83 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.66 140.96 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 tt -140.36 41.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -172.72 75.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 49' ' ' GLY . 21.5 t -87.63 158.89 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -101.74 -148.99 22.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.585 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.409 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -109.99 -34.03 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.53 18.51 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.253 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CE3' ' O ' ' A' ' 50' ' ' SER . 3.8 m-90 -113.39 55.04 0.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 110.779 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 82.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 t -154.3 65.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -129.47 -56.45 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 p -92.35 173.37 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 m120 63.88 133.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.67 175.07 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.877 0.37 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.22 149.08 52.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -100.33 -65.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -77.59 -169.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 125.85 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.67 ' N ' HD22 ' A' ' 7' ' ' LEU . 1.2 mm? -114.21 63.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.83 128.4 7.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.16 148.9 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 11' ' ' PRO . 0.3 OUTLIER 62.01 150.55 0.1 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.698 ' HB3' HG21 ' A' ' 45' ' ' VAL . 59.4 Cg_endo -72.1 115.38 4.29 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.625 2.216 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -100.29 73.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.31 136.05 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.378 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 58.96 -174.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.8 t -96.55 139.66 21.77 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.64 -36.66 91.63 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.48 2.12 . . . . 0.0 112.719 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -105.92 -4.69 20.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.869 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.9 m80 -132.21 79.19 66.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.759 0.314 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.75 -28.15 37.21 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.81 -69.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.745 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -76.45 119.06 19.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.007 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 tt -90.3 149.66 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.234 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD21 HD21 ' A' ' 39' ' ' LEU . 7.8 mp -58.32 133.91 56.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 25' ' ' GLU . 21.2 t -115.73 161.2 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -66.21 135.23 54.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -69.54 -46.05 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.12 32.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.86 20.57 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.125 0.488 . . . . 0.0 111.232 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.06 14.34 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.78 46.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.627 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.73 123.28 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.441 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.7 mtt -97.0 89.8 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.749 HG22 HG22 ' A' ' 40' ' ' VAL . 1.7 pp -84.01 153.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HB2' HD23 ' A' ' 39' ' ' LEU . 27.7 t -94.67 134.63 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.745 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.3 Cg_endo -74.28 -3.26 13.53 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.372 2.048 . . . . 0.0 112.699 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 16.0 mm-40 -110.24 -78.0 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 23.8 p -68.68 -21.62 64.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.005 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 73.09 55.34 6.36 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.056 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 40' ' ' VAL . 1.1 pp -93.23 -179.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.815 ' N ' HD12 ' A' ' 39' ' ' LEU . 29.0 t -148.42 93.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.314 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.815 HG23 ' CD1' ' A' ' 39' ' ' LEU . 67.7 t -133.11 102.73 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.951 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.27 107.71 2.17 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.94 170.04 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -157.43 39.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG21 ' HB3' ' A' ' 11' ' ' PRO . 12.5 p -92.25 121.34 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.033 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.98 92.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.91 32.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.28 -32.82 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.93 -55.4 4.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m 61.12 66.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.946 0.403 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.13 142.52 50.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -87.34 54.82 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -139.04 -173.2 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 m -110.6 159.29 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -92.97 -75.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.5 m -105.57 -15.48 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.8 m120 62.59 147.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.37 22.59 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -75.01 90.52 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 5' ' ' SER . 9.9 t -140.63 -47.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 4' ' ' THR . 58.6 m -132.78 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.38 169.26 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.76 95.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -119.95 154.8 33.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.62 142.5 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.8 mt -148.64 101.05 3.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.45 144.28 18.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.64 101.6 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 13' ' ' VAL . 5.6 m -72.48 133.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.1 p 55.95 -170.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 49.8 t -97.34 137.05 21.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 25.4 Cg_exo -62.58 -27.31 76.39 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.552 2.168 . . . . 0.0 112.527 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.01 -10.77 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.673 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.667 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 37.6 m80 -127.26 73.6 77.32 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -56.75 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.624 2.216 . . . . 0.0 112.18 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.14 -41.43 96.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -87.51 76.5 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.9 mt -71.37 142.47 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 HD21 ' A' ' 39' ' ' LEU . 10.8 mp -47.93 169.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.654 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 25' ' ' GLU . 12.0 t -137.7 159.07 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -81.67 140.42 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.27 -48.08 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 179.6 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -94.27 19.51 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.138 0.494 . . . . 0.0 111.559 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 50.37 29.22 3.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.359 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.73 -46.34 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.42 96.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.527 ' CB ' HD23 ' A' ' 23' ' ' LEU . 45.9 mtt -86.16 116.41 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.815 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -117.38 130.28 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 33' ' ' ILE . 39.5 t -90.28 119.73 69.18 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -61.49 -13.83 31.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.572 2.182 . . . . 0.0 113.149 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 62.3 mm-40 -92.0 -81.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.269 -0.172 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.595 ' SG ' HD23 ' A' ' 39' ' ' LEU . 14.3 p -66.07 -27.86 68.4 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.721 0.295 . . . . 0.0 111.001 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.89 47.96 8.15 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.941 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.655 HD11 HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -94.0 172.43 8.24 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -143.78 110.22 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.2 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.655 HG23 HD11 ' A' ' 39' ' ' LEU . 22.7 t -98.61 127.11 51.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.091 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.73 62.61 3.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.05 110.79 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 59.58 67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.61 87.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 46' ' ' ILE . 16.1 tt -79.96 107.26 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.87 110.42 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.5 p -145.95 63.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 168.42 137.25 2.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.4 170.07 21.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -158.02 98.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -90.98 134.13 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.16 168.62 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 55' ' ' PHE . 16.4 m -79.54 162.82 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 54' ' ' THR . 1.4 m-85 -88.98 -45.77 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.62 160.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.66 30.6 3.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.5 109.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.844 0.354 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -176.1 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -118.06 -41.93 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.23 169.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.766 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -100.02 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 6' ' ' ARG . 2.3 mm? -137.47 133.65 34.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.95 85.83 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.02 72.13 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.3 mt -61.92 -60.74 9.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 10' ' ' LEU . 56.2 Cg_endo -70.69 161.67 45.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.479 2.12 . . . . 0.0 112.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -166.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 13' ' ' VAL . 8.5 p -54.44 103.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' VAL . 1.8 p -159.73 -176.6 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.766 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 19.2 t -76.98 127.2 84.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.68 -25.76 69.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.416 2.077 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -108.98 -20.63 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.309 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' ND1' ' HB3' ' A' ' 36' ' ' GLU . 37.3 m80 -121.19 73.71 27.87 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.02 -38.47 16.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.591 2.194 . . . . 0.0 112.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.9 -31.8 70.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.716 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' OE1' ' A' ' 36' ' ' GLU . . . -100.78 131.97 46.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.58 135.15 42.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 HG23 ' A' ' 41' ' ' VAL . 6.5 mp -56.54 112.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 25' ' ' GLU . 15.1 t -81.77 159.64 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' N ' HG12 ' A' ' 24' ' ' VAL . 3.1 mt-10 -77.38 145.96 36.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -62.75 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.673 ' CE2' ' HB2' ' A' ' 29' ' ' ALA . 33.4 p90 -160.37 52.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 60.0 21.17 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.135 0.493 . . . . 0.0 111.334 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -90.97 -32.28 16.01 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.84 -51.36 0.85 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.594 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.03 133.61 56.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.96 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.52 169.91 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.66 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -151.44 144.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 16.2 t -87.85 113.09 53.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.387 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 12.8 Cg_endo -56.69 -21.75 40.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 1.0 OUTLIER -70.39 -71.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.672 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.58 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.1 p -87.64 -45.46 10.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 110.804 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.56 53.31 0.99 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.401 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.66 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -104.84 167.9 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.43 119.03 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.009 0.433 . . . . 0.0 111.948 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.567 ' CG2' HD11 ' A' ' 39' ' ' LEU . 33.2 t -127.11 129.43 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.902 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.08 53.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.593 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -99.13 120.58 39.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.801 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.32 178.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -77.67 143.2 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 46' ' ' ILE . 1.8 mp -126.98 49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.4 71.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -99.39 102.2 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.11 67.23 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.442 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.0 p -77.19 80.42 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -112.42 -73.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -104.78 138.97 40.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -128.54 169.17 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 p -76.95 -33.76 57.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -91.67 143.01 26.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.9 m -111.78 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -112.37 -46.65 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.4 98.33 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -112.78 172.44 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 t -166.42 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -173.16 104.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ASP . 20.5 ttm180 -131.76 126.46 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 66.55 -66.8 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER 66.76 88.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.11 71.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.69 87.79 52.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.23 140.14 40.23 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.588 2.192 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' HG2' HG23 ' A' ' 13' ' ' VAL . 41.1 ttt85 -117.24 131.27 56.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG23 ' HG2' ' A' ' 12' ' ' ARG . 42.6 t 47.01 48.39 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.91 -175.3 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.049 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.6 t -101.34 136.72 19.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.69 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -33.4 63.18 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.407 2.072 . . . . 0.0 112.495 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -103.03 -4.9 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 37.9 m80 -137.75 73.26 47.66 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-O 120.752 0.311 . . . . 0.0 110.742 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.47 -23.6 43.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.277 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.32 -39.14 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 149.67 21.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.67 136.11 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.069 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.779 HD11 HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -58.89 100.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 25' ' ' GLU . 15.1 t -62.46 160.49 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 24' ' ' VAL . 18.6 mt-10 -102.96 164.74 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.33 -171.27 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.53 34.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -136.93 18.95 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.27 0.557 . . . . 0.0 111.225 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 179.61 -69.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 44.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.382 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -122.77 168.84 11.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.3 mtt -115.58 160.38 20.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -152.05 142.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' N ' HG13 ' A' ' 33' ' ' ILE . 45.3 t -96.91 108.87 46.06 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.17 -23.98 14.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.583 2.188 . . . . 0.0 112.951 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 20.2 mm-40 -74.09 -80.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.687 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.2 p -72.66 -41.91 64.91 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.589 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.84 51.68 1.91 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.158 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.779 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -101.59 172.42 6.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 33' ' ' ILE . 21.3 t -129.78 113.83 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 111.299 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG23 ' CD2' ' A' ' 23' ' ' LEU . 25.5 t -104.21 132.56 50.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.05 86.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.613 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.28 -30.56 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -116.19 134.42 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 102.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.27 112.51 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.3 136.38 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.9 p -59.26 110.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.054 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.67 175.99 47.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.3 m -114.23 159.28 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.09 -82.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.5 m95 54.43 30.76 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 24.08 13.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' THR . 7.2 m 62.94 15.96 8.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 44.92 78.92 0.05 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.85 -173.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -131.85 48.41 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.4 153.87 44.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.871 0.367 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -87.8 139.42 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -140.83 -52.77 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -126.35 -53.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.66 161.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.57 -23.26 11.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t70 65.87 83.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' H ' HD23 ' A' ' 10' ' ' LEU . . . -163.87 68.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -153.5 64.5 5.0 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.019 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 10' ' ' LEU . 20.2 Cg_exo -65.52 -167.99 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.673 2.249 . . . . 0.0 112.098 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 57.82 71.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.026 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' OE1' ' A' ' 25' ' ' GLU . 21.6 t -149.17 85.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p -133.43 -178.27 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' A' ' 23' ' ' LEU . 15.0 t -107.32 140.12 21.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.0 -41.46 76.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.578 2.185 . . . . 0.0 112.793 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -102.4 -3.68 26.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.882 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 33.5 m80 -131.78 86.06 49.56 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.673 0.273 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.82 -26.58 59.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.557 2.171 . . . . 0.0 112.12 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -41.51 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.705 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -65.67 171.38 4.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 108.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.309 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.072 HD11 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -58.4 98.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.517 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 25' ' ' GLU . 20.8 t -46.8 161.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.504 ' N ' HG12 ' A' ' 24' ' ' VAL . 9.2 mt-10 -136.49 123.74 21.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.924 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.92 113.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -125.01 -66.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.0 20.54 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.238 0.542 . . . . 0.0 111.461 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -161.02 -42.92 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.67 39.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.572 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.59 161.78 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.74 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mtt -94.33 156.0 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -156.89 133.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 53.9 t -96.22 118.53 65.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 26.8 Cg_endo -62.17 -12.17 25.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.489 2.126 . . . . 0.0 112.929 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 18' ' ' HIS . 6.8 tp10 -89.99 -75.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.43 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.7 ' SG ' HD23 ' A' ' 39' ' ' LEU . 9.0 p -74.64 -24.13 58.78 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.66 45.38 17.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.114 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.072 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -93.8 170.19 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.643 0.258 . . . . 0.0 110.467 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.79 112.63 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 39' ' ' LEU . 14.9 t -96.01 128.27 47.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.51 104.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.611 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -111.74 -34.07 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -84.73 157.57 21.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.1 p -68.4 92.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 pt -69.71 84.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.35 159.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.02 104.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.98 -85.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.544 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -125.45 135.87 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.22 71.56 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.0 m95 59.81 104.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -44.67 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -170.61 134.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.19 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 m -97.55 -35.56 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -107.43 115.74 30.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.35 164.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 pttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -158.61 -179.45 8.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 p -137.4 -48.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p -110.79 75.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 -157.23 41.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.19 172.26 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.21 -42.65 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.32 157.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.4 150.79 47.13 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.25 129.03 29.62 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -89.44 106.86 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 22' ' ' ILE . 61.5 t 50.13 90.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.22 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 13' ' ' VAL . 2.3 p -158.46 166.53 31.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 53.0 t -74.34 136.0 75.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.689 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.51 -29.04 53.27 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.491 2.127 . . . . 0.0 112.541 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.78 -7.52 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.544 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 31.8 m80 -130.04 86.52 54.24 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.712 0.291 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.09 -20.05 33.77 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.546 2.164 . . . . 0.0 112.245 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.31 24.99 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.35 153.47 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 13' ' ' VAL . 3.4 mp -128.87 128.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.234 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.65 HD11 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -57.31 102.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 25' ' ' GLU . 13.7 t -72.85 159.45 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.33 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -82.19 147.23 29.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.87 -32.0 35.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 t80 61.06 26.69 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.03 20.32 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.205 0.526 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -179.19 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.186 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 30.51 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -122.75 165.41 16.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -111.63 169.38 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -160.36 142.57 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 21.7 t -99.94 105.43 34.9 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.502 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.05 -24.84 8.13 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.507 2.138 . . . . 0.0 112.61 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -68.38 -77.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.8 p -77.74 -43.04 32.13 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.97 0.414 . . . . 0.0 110.346 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 52.41 1.43 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.65 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -106.76 166.96 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.612 HG22 HD12 ' A' ' 33' ' ' ILE . 18.6 t -126.37 116.79 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.524 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' CD2' ' A' ' 23' ' ' LEU . 25.3 t -111.67 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.971 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.79 75.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.564 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.43 85.09 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.35 35.36 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.14 105.03 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mt -107.7 71.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -150.52 32.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.28 115.68 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.0 154.39 29.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.579 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 m -82.85 -172.61 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.77 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.62 -30.73 7.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -136.63 -47.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.7 30.74 0.56 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.447 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.55 114.65 26.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 59.9 80.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.61 74.99 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -161.15 -44.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.26 158.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 60.43 57.96 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 6' ' ' ARG . 6.5 t -123.56 32.92 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t 60.77 40.55 15.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.44 ' HB2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.31 107.06 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -111.33 125.77 54.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.95 -70.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 10' ' ' LEU . . . -57.98 171.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.5 mp 60.79 81.07 0.25 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.45 -177.27 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.539 2.16 . . . . 0.0 112.236 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.58 94.28 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.21 80.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.653 HG22 ' CD1' ' A' ' 22' ' ' ILE . 1.4 p -120.94 166.06 14.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 42.5 t -71.51 135.77 83.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.804 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.62 -25.92 61.75 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.442 2.095 . . . . 0.0 112.452 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -109.85 -13.7 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m80 -121.71 83.8 42.69 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.39 -28.97 54.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.403 2.068 . . . . 0.0 111.935 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -79.06 -45.41 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.78 ' O ' HD13 ' A' ' 22' ' ' ILE . . . -71.35 166.89 20.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.78 HD13 ' O ' ' A' ' 21' ' ' ALA . 24.4 mm -139.91 122.97 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.387 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 41' ' ' VAL . 10.7 mp -57.9 119.63 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.578 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 25' ' ' GLU . 12.5 t -96.48 159.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -111.32 174.64 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.21 -76.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -147.35 -63.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -171.83 108.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 28' ' ' ARG . . . 172.78 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.56 29.18 1.78 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.549 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -114.72 106.09 13.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -135.94 127.08 28.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.01 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.75 HG22 ' O ' ' A' ' 39' ' ' LEU . 1.8 pp -113.23 161.29 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.2 t -97.52 127.79 36.7 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.708 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.85 58.23 5.97 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.097 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 25.8 tp10 -167.33 -70.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.319 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.1 p -82.47 -25.37 33.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.897 0.379 . . . . 0.0 110.025 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.44 53.89 4.91 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.651 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.75 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -100.0 169.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.76 HG11 ' HB3' ' A' ' 44' ' ' ARG . 21.3 t -133.61 113.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.603 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.713 ' CG2' HD11 ' A' ' 39' ' ' LEU . 39.7 t -106.88 134.99 46.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.783 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.16 -70.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.347 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -177.92 176.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.76 ' HB3' HG11 ' A' ' 40' ' ' VAL . 2.6 ptt180 -162.42 -175.73 4.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.7 p -101.38 106.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.1 pt -64.09 92.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -116.79 32.24 6.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 49' ' ' GLY . 28.3 t -104.05 158.58 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -125.55 -41.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -61.61 176.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -130.59 -71.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -114.48 30.38 7.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -146.64 132.02 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -107.09 137.34 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -75.72 158.14 32.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t 60.2 175.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -126.16 158.54 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.36 171.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -116.06 124.47 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 -64.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -163.25 -58.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 69.78 -64.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp 64.61 137.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 129.3 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.02 166.83 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -177.08 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 10' ' ' LEU . 63.7 Cg_endo -73.94 115.79 4.44 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.567 2.178 . . . . 0.0 112.271 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -97.22 38.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 13' ' ' VAL . 11.8 p -148.91 60.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.467 HG22 HG13 ' A' ' 22' ' ' ILE . 24.8 p -116.48 -177.72 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 15.6 t -75.84 134.86 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.99 -23.4 46.76 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.356 2.037 . . . . 0.0 112.432 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -110.41 -20.13 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 35.9 m80 -117.44 72.58 7.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.19 -29.5 47.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.474 2.116 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.47 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.75 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -81.41 111.29 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.467 HG13 HG22 ' A' ' 14' ' ' THR . 5.1 tt -80.71 139.04 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 39' ' ' LEU . 4.0 mp -58.1 106.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -66.8 -165.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.706 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.642 ' N ' HG13 ' A' ' 24' ' ' VAL . 6.8 mt-10 -132.16 152.42 51.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.35 -46.3 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -179.34 -73.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.845 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.24 22.37 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.452 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.26 -33.94 15.95 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.26 19.6 7.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.725 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.62 118.24 36.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.754 0.311 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.483 ' O ' HD13 ' A' ' 33' ' ' ILE . 1.3 mtt -95.49 133.42 39.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.001 HD12 HG22 ' A' ' 40' ' ' VAL . 41.5 mm -124.63 140.84 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 38' ' ' GLY . 34.3 t -96.33 109.63 48.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.59 -21.72 15.12 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.75 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 3.1 mm-40 -81.35 -82.93 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.295 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.6 p -69.67 -30.59 68.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 82.15 49.41 5.29 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.609 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -94.88 175.49 6.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.001 HG22 HD12 ' A' ' 33' ' ' ILE . 21.2 t -139.01 110.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.817 0.342 . . . . 0.0 111.48 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 23' ' ' LEU . 22.0 t -93.63 132.83 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.037 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.62 52.24 31.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.26 173.97 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.992 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.7 97.36 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.778 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 45' ' ' VAL . 12.1 p -106.21 118.57 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER 43.36 40.96 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.717 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -162.48 50.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.4 m -65.09 -30.11 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.244 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.57 133.74 6.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 p -106.2 30.6 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.42 -36.96 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 59.32 44.51 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -152.81 150.19 29.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 p -138.38 131.74 30.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -106.61 -48.08 3.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.94 77.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -141.94 -51.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.81 120.99 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 60.28 -176.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.6 m -150.19 76.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.0 55.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' HD3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 -53.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD23 ' HD3' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -176.9 163.76 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.959 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.24 157.39 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.62 116.34 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.071 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 11' ' ' PRO . 11.9 tp -70.55 -49.4 15.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.348 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 10' ' ' LEU . 92.9 Cg_endo -78.84 153.67 25.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.399 2.066 . . . . 0.0 112.393 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -79.24 59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 13' ' ' VAL . 4.8 m -82.99 -179.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.549 HG22 HG13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.16 167.41 21.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.712 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.6 t -60.23 134.93 90.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.03 -25.43 51.55 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.494 2.13 . . . . 0.0 112.497 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.91 -9.26 14.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.2 m80 -129.21 80.37 72.58 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.758 0.313 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.97 -43.67 6.33 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.6 2.2 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -94.21 84.32 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.549 HG13 HG22 ' A' ' 14' ' ' THR . 14.9 tt -67.2 142.68 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.186 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD21 HD11 ' A' ' 39' ' ' LEU . 6.8 mp -54.41 152.42 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.756 HG23 ' HD3' ' A' ' 35' ' ' PRO . 17.4 t -105.57 160.2 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 mm-40 -105.73 129.06 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.3 -167.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.64 -60.49 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -159.96 105.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 73.81 30.5 1.34 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.36 16.76 44.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.647 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.01 -177.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.053 0.454 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.2 mmm -105.23 124.47 49.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.688 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.808 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -109.7 131.79 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.447 -179.411 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.808 ' N ' HD13 ' A' ' 33' ' ' ILE . 42.3 t -90.03 118.12 68.63 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.627 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.756 ' HD3' HG23 ' A' ' 24' ' ' VAL . 16.3 Cg_endo -57.56 -17.04 26.36 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 113.289 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 7.6 mm-40 -90.0 -81.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.434 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.43 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 21.1 p -67.77 -25.56 65.68 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.206 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 77.43 48.38 8.16 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.77 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -89.01 174.58 7.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.538 0.208 . . . . 0.0 110.564 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' N ' HD12 ' A' ' 39' ' ' LEU . 33.4 t -148.6 103.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.139 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG23 ' CD1' ' A' ' 39' ' ' LEU . 56.7 t -143.6 109.9 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.213 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.88 40.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -79.48 127.32 31.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -127.44 -177.23 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t 51.51 77.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 46' ' ' ILE . 3.2 mp -135.69 53.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -69.84 179.14 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.54 100.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.72 141.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.396 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.51 88.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.26 -31.8 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -63.64 -72.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -164.46 167.89 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.9 p -86.35 122.7 30.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -125.6 136.27 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.74 164.12 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 60.88 36.68 18.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.15 -46.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tptt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -75.42 -49.06 20.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -123.83 122.25 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.64 105.29 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -174.59 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -164.33 -178.45 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.22 -43.92 92.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' N ' HD12 ' A' ' 7' ' ' LEU . . . 56.49 54.63 7.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.184 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.36 144.08 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 155.74 12.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.452 2.102 . . . . 0.0 112.224 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -119.98 168.91 10.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.762 HG22 HD11 ' A' ' 23' ' ' LEU . 13.5 p 43.53 44.74 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.554 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.007 HG23 HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -103.25 153.3 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 49.5 t -57.36 135.54 81.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.09 -28.34 48.98 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.669 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -106.43 -10.47 16.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.54 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.78 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 30.3 m80 -126.19 85.82 59.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.052 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 -36.88 9.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.528 2.152 . . . . 0.0 111.98 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.22 6.0 38.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.78 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -137.59 83.15 1.97 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.74 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.007 HD12 HG23 ' A' ' 14' ' ' THR . 1.7 tt -67.81 137.08 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -55.25 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 35' ' ' PRO . 16.6 t -122.2 160.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.483 ' N ' HG12 ' A' ' 24' ' ' VAL . 17.4 tt0 -120.88 87.9 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.81 144.91 47.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.1 m-85 -86.15 56.56 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 6.4 mmt-85 -164.38 110.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.23 22.89 13.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.67 30.47 43.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.74 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.2 139.13 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 3.7 mtt -118.24 155.61 30.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -151.55 133.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.176 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.871 ' N ' HD13 ' A' ' 33' ' ' ILE . 45.2 t -87.47 123.57 69.37 Favored Pre-proline 0 C--N 1.334 -0.105 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.627 ' HD3' HG23 ' A' ' 24' ' ' VAL . 46.8 Cg_endo -68.57 -4.94 14.07 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.458 2.105 . . . . 0.0 112.967 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 22.2 tp10 -100.47 -71.17 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.41 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.767 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.0 p -78.16 -27.32 48.08 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.927 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA2' HD11 ' A' ' 33' ' ' ILE . . . 79.83 46.55 7.73 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.517 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -95.62 176.49 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.59 0.233 . . . . 0.0 110.831 -179.542 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.541 ' N ' HD12 ' A' ' 39' ' ' LEU . 21.2 t -132.78 111.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.294 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.693 ' CG2' HD11 ' A' ' 39' ' ' LEU . 10.6 t -97.36 132.78 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.97 86.85 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.0 158.29 15.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -175.33 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -145.84 138.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 tt -56.37 135.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.06 165.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 48' ' ' VAL . 12.4 p -88.22 54.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.82 132.41 10.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 96.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -143.72 128.18 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -110.17 177.1 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -172.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 m 63.51 154.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -97.81 37.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.65 158.2 17.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -142.28 94.14 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 91.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -147.0 150.39 35.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m 60.62 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -74.2 84.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -112.18 125.29 53.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.49 -42.25 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -170.39 124.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.22 119.66 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 tp -173.04 96.94 0.35 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.13 106.47 1.36 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.465 2.11 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.21 130.89 51.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.74 164.39 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.244 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 23' ' ' LEU . 10.4 p 56.36 -172.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 54.1 t -121.46 131.5 24.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.77 -29.27 70.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 18' ' ' HIS . 5.9 p-10 -110.99 -8.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.678 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 38.1 m80 -133.75 71.28 74.87 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.23 -51.62 7.25 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.472 2.115 . . . . 0.0 112.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -43.62 75.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -90.01 109.21 20.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.32 139.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.552 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -61.52 109.59 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.68 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG23 ' HD3' ' A' ' 35' ' ' PRO . 20.2 t -47.92 161.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.5 mt-10 -113.53 102.79 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.136 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.26 148.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 179.18 106.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.54 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 65.81 22.12 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.211 0.529 . . . . 0.0 110.862 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 76.75 38.23 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 18.64 10.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.846 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.86 -156.04 0.32 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.715 0.257 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.9 mtm -68.02 151.32 47.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.713 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -155.78 131.68 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.27 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.709 ' N ' HD13 ' A' ' 33' ' ' ILE . 53.8 t -90.56 112.28 52.23 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.588 0.232 . . . . 0.0 110.794 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 24' ' ' VAL . 54.0 Cg_exo -52.15 -21.38 12.71 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.908 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 5.2 mm-40 -82.14 -84.4 0.12 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.362 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' HD23 ' A' ' 39' ' ' LEU . 10.3 p -66.27 -29.05 69.2 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.61 50.86 5.83 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.096 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.87 170.13 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.23 114.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 111.358 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.628 ' CG2' HD11 ' A' ' 39' ' ' LEU . 24.4 t -106.74 133.12 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.037 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.13 179.17 40.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.97 -169.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -65.5 112.78 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.3 p -168.94 123.34 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.38 128.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -99.08 85.71 3.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.0 p -139.67 132.76 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.85 -36.84 0.38 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.394 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -59.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 63.89 47.92 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -80.51 177.85 8.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -124.02 -175.23 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -118.23 165.79 13.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -74.11 114.96 13.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.09 -47.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 m120 68.71 -68.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -172.38 -73.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 tttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -100.09 -75.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 62.76 121.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -151.2 170.62 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.39 157.56 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mp 60.88 160.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.04 133.1 54.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.11 142.6 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -150.31 120.36 3.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.79 103.61 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.37 2.047 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.553 HH21 HD11 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -71.9 104.1 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.31 89.42 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.73 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 41.3 t -96.9 138.29 21.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.646 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 43.1 Cg_exo -56.78 -31.97 90.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.553 2.169 . . . . 0.0 112.743 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -112.96 -6.89 13.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.833 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 36.8 m80 -128.38 78.7 75.28 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.82 -23.16 41.91 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.477 2.118 . . . . 0.0 112.256 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.83 -31.1 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' HIS . . . -60.65 -172.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.42 91.96 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -63.47 78.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.542 179.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 25' ' ' GLU . 16.8 t -46.55 160.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.456 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 13.3 mt-10 -128.11 113.33 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.23 170.32 9.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -96.4 -65.43 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -127.53 20.08 6.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 111.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.44 -32.66 18.18 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' O ' HG13 ' A' ' 40' ' ' VAL . . . 152.85 43.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.566 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.83 -159.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.704 ' HB3' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.38 158.75 35.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.697 0.284 . . . . 0.0 110.959 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.545 HD13 ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -152.33 137.65 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.251 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' LEU . 29.2 t -97.11 113.98 63.96 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 11.2 Cg_endo -54.92 -21.23 25.59 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.309 2.006 . . . . 0.0 112.325 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -76.73 -79.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.701 ' SG ' HD23 ' A' ' 39' ' ' LEU . 13.5 p -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.637 0.256 . . . . 0.0 111.328 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 75.2 44.1 23.87 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.675 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.701 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -89.77 174.71 7.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.611 0.243 . . . . 0.0 110.481 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 30' ' ' GLY . 21.6 t -134.88 108.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.707 ' CG2' HD21 ' A' ' 23' ' ' LEU . 21.0 t -92.04 123.9 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.56 -81.9 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.183 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.32 -81.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -64.14 97.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.042 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 45' ' ' VAL . 5.5 m -73.36 152.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.31 63.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.41 152.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 48' ' ' VAL . 5.5 m -72.73 -179.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.14 -142.66 6.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.577 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -127.84 41.7 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 61.52 31.25 18.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -117.05 121.35 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.48 48.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 p -71.33 -32.56 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -135.87 169.12 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -79.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -177.94 87.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.71 -169.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tttm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.856 0.36 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m 60.39 32.83 20.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.35 116.19 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -130.57 179.55 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.0 113.43 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -117.87 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -116.35 167.64 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.38 119.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.96 108.63 47.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.85 94.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.467 2.111 . . . . 0.0 112.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 76.83 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 14' ' ' THR . 21.3 t -145.59 159.23 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.47 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -149.84 168.25 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.5 t -107.67 138.24 19.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.47 -43.48 27.47 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.568 2.179 . . . . 0.0 112.383 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -4.55 53.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 39.2 m80 -140.27 74.12 30.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.731 0.301 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.97 -25.25 77.66 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.619 2.213 . . . . 0.0 112.303 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -82.88 -40.38 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -89.6 112.0 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -82.9 140.95 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.4 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.906 HD11 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.59 100.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.655 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 25' ' ' GLU . 16.2 t -55.01 160.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 24' ' ' VAL . 8.6 pt-20 -112.27 169.55 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.61 -167.11 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -57.65 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -98.26 20.32 12.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.221 0.534 . . . . 0.0 111.268 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.43 28.74 18.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.32 -35.64 82.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.38 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.15 168.14 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.746 0.308 . . . . 0.0 110.744 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -126.25 165.45 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -155.2 134.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.6 t -96.11 111.51 56.61 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.81 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -51.31 -22.21 11.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.581 2.187 . . . . 0.0 112.932 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 17.1 mm-40 -81.41 -83.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.566 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 11.1 p -66.66 -23.75 66.19 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.88 50.26 14.22 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.191 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.906 HD21 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -97.35 171.55 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.27 112.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.245 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.588 HG23 ' CD2' ' A' ' 23' ' ' LEU . 24.6 t -92.93 124.83 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.8 71.36 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.552 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -94.4 144.41 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -149.77 170.43 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.69 141.88 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -117.95 52.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 62.6 121.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.7 t 62.18 -80.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.8 -130.9 10.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 p 63.27 138.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -45.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -89.23 162.7 15.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 54' ' ' THR . 12.6 mtp-105 -142.18 178.02 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 53' ' ' ARG . 7.9 t 51.22 171.28 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -157.15 133.46 9.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.18 165.89 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.8 -33.75 8.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.53 132.55 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 60.4 109.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 t -115.75 146.5 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -97.35 39.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.94 -57.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.03 171.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.51 140.3 49.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.51 47.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.04 57.59 30.93 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.552 ' HG2' HG12 ' A' ' 13' ' ' VAL . 56.5 Cg_endo -70.26 179.91 3.62 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.543 2.162 . . . . 0.0 112.324 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.29 69.37 0.22 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.024 HG22 HG23 ' A' ' 14' ' ' THR . 10.9 p -157.36 134.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.024 HG23 HG22 ' A' ' 13' ' ' VAL . 7.2 p 57.86 163.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 43.9 t -68.1 135.07 91.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.07 -24.81 59.23 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.491 2.127 . . . . 0.0 112.528 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -112.35 -9.38 13.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.554 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 36' ' ' GLU . 36.6 m80 -129.36 81.82 69.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.713 0.292 . . . . 0.0 111.065 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.55 -32.32 48.88 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.547 2.165 . . . . 0.0 112.223 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.18 -39.68 71.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.09 105.98 16.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.845 HG23 ' HA ' ' A' ' 14' ' ' THR . 3.4 mp -83.61 138.49 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 32' ' ' MET . 4.9 mp -53.09 110.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.601 HG23 ' HD3' ' A' ' 35' ' ' PRO . 21.3 t -59.21 160.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -102.91 151.44 22.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.59 136.08 20.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 111.193 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.7 t80 57.43 77.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 56.62 22.83 7.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 111.328 179.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 69.57 29.67 4.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.079 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.57 -28.41 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.333 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -132.48 132.91 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.723 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.4 mtt -96.08 162.3 13.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.568 ' C ' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -164.14 116.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' N ' HD13 ' A' ' 33' ' ' ILE . 20.0 t -90.22 113.84 58.81 Favored Pre-proline 0 CA--C 1.528 0.126 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.531 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.601 ' HD3' HG23 ' A' ' 24' ' ' VAL . 19.0 Cg_endo -58.39 -19.89 45.69 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.479 2.12 . . . . 0.0 112.486 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -72.36 -78.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.764 ' SG ' HD23 ' A' ' 39' ' ' LEU . 5.9 p -72.68 -29.2 63.21 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.378 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.7 53.84 4.83 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.302 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.764 HD23 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -114.23 160.73 18.7 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.3 p -117.03 119.14 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.531 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.754 ' CG2' HD11 ' A' ' 39' ' ' LEU . 35.8 t -115.53 80.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.75 -67.78 1.98 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.587 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -177.98 161.59 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.706 0.289 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -127.37 97.69 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.73 32.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -71.46 70.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 61.4 3.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 89.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.89 -175.57 27.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m 60.64 88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -155.41 92.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -123.07 156.03 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 60.97 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -91.0 -76.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 65.57 -75.1 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.7 m -56.21 169.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.06 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.51 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 tttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -85.06 113.45 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.2 p -95.58 -58.86 2.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -149.69 64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.86 -171.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 130.67 50.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.2 108.83 10.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.48 99.54 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.4 mt 59.77 82.06 0.24 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.98 60.58 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.841 2.361 . . . . 0.0 112.411 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 46.37 31.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.381 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 14' ' ' THR . 4.9 m -67.71 115.52 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.028 HG22 HG22 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -163.05 159.72 23.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 23' ' ' LEU . 53.3 t -58.17 135.3 84.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.17 -30.27 38.2 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.461 2.107 . . . . 0.0 112.434 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -103.51 -6.21 22.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.524 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 31.6 m80 -132.81 90.51 32.03 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.645 0.26 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.93 -26.02 44.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.367 2.044 . . . . 0.0 112.221 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.32 -48.64 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -78.05 113.84 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.028 HG22 HG22 ' A' ' 14' ' ' THR . 10.6 pt -89.96 132.86 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mp -58.67 104.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 25' ' ' GLU . 19.5 t -50.16 161.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.8 mt-10 -126.73 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.984 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.99 64.2 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD2' HG21 ' A' ' 33' ' ' ILE . 1.1 t80 -90.84 -36.07 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -161.87 108.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.47 29.18 13.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.288 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.39 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.617 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -147.39 152.74 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 mtt -102.69 152.42 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.822 HD12 HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -161.08 140.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.398 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 33' ' ' ILE . 38.2 t -102.71 101.54 21.22 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.248 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' CYS . 5.9 Cg_endo -48.73 -24.76 7.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.737 2.291 . . . . 0.0 112.671 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HB3' ' ND1' ' A' ' 18' ' ' HIS . 10.9 tp10 -66.24 -72.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' SG ' HD23 ' A' ' 39' ' ' LEU . 6.5 p -80.61 -45.93 16.51 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.967 0.413 . . . . 0.0 110.339 179.242 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.93 46.52 1.36 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.415 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -98.74 166.31 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.711 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.822 HG22 HD12 ' A' ' 33' ' ' ILE . 13.7 t -135.28 115.4 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.439 -179.545 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' CG2' HD11 ' A' ' 39' ' ' LEU . 21.7 t -106.7 130.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.966 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.93 139.04 24.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.24 -31.56 55.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.06 106.71 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.04 131.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mt -107.74 80.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.25 131.64 47.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.9 p -168.69 111.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.15 -158.06 27.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -162.81 -44.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -114.01 22.94 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -111.07 89.56 3.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -130.24 -42.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.4 p -74.01 131.09 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -90.2 179.2 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -141.99 129.97 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -127.71 88.79 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.44 168.35 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -134.61 98.1 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 5' ' ' SER . 6.5 t -108.7 -47.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 4' ' ' THR . 9.6 m 59.15 -169.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -136.7 101.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -148.04 178.84 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -148.35 106.47 3.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' C ' HD13 ' A' ' 10' ' ' LEU . . . -92.81 151.69 19.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.052 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -153.33 145.78 17.26 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.875 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -81.74 66.59 8.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.674 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.18 101.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 12' ' ' ARG . 8.8 p 51.67 159.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.048 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.504 HG23 HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER 56.84 168.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.235 -179.853 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.701 ' HB2' HD12 ' A' ' 23' ' ' LEU . 17.1 t -91.07 140.09 25.87 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.537 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.39 -41.19 78.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.43 2.087 . . . . 0.0 112.602 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -102.46 -2.05 29.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 37.5 m80 -136.08 78.92 45.61 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.77 -24.76 46.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -78.18 -46.07 21.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -100.3 111.35 23.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.504 HG22 HG23 ' A' ' 14' ' ' THR . 1.2 pt -77.56 151.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.457 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -67.24 110.19 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 179.808 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 25' ' ' GLU . 14.9 t -55.4 160.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 24' ' ' VAL . 2.5 pt-20 -120.21 133.4 55.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.249 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 43.31 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.768 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.41 -70.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.33 20.66 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.91 -42.87 0.09 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.76 -47.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.93 174.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -86.63 159.02 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -156.9 134.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.127 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 t -88.46 134.66 33.87 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.801 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 71.7 Cg_endo -76.78 -1.1 11.2 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.38 2.054 . . . . 0.0 112.643 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 23.2 mm-40 -109.17 -76.95 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.106 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' SG ' HD23 ' A' ' 39' ' ' LEU . 17.7 p -69.51 -17.82 63.63 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.971 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 49.27 57.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.976 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.818 HD11 HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.1 172.28 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.609 0.243 . . . . 0.0 110.563 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 33' ' ' ILE . 20.4 t -141.47 110.85 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.556 ' CG2' HD11 ' A' ' 39' ' ' LEU . 21.7 t -92.07 121.01 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 167.04 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.61 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.17 175.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mmm-85 63.6 139.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.782 ' O ' HD13 ' A' ' 46' ' ' ILE . 58.5 t 51.82 64.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.782 HD13 ' O ' ' A' ' 45' ' ' VAL . 21.5 mm -139.27 32.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.08 149.9 21.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.2 -31.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.75 -93.14 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -86.55 160.35 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.28 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -67.35 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 174.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.8 m -154.13 140.2 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -79.51 89.59 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.5 t -172.99 151.75 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.06 34.85 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.31 117.74 23.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -162.48 -49.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.594 ' HB ' HD13 ' A' ' 7' ' ' LEU . 48.0 p -129.54 169.7 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -135.87 124.25 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 7' ' ' LEU . 19.3 mtt-85 60.44 85.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 4' ' ' THR . 1.7 mp -142.54 160.72 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' HB3' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -97.48 178.18 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.77 36.97 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.1 pt? -81.01 153.94 72.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.92 99.35 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.573 2.182 . . . . 0.0 112.216 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.98 77.98 9.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.686 HG12 HG23 ' A' ' 14' ' ' THR . 21.6 t -128.08 155.07 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.686 HG23 HG12 ' A' ' 13' ' ' VAL . 14.6 p 54.83 -165.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 45.3 t -109.52 135.76 20.31 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.768 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.72 -28.08 68.58 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.45 2.1 . . . . 0.0 112.29 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.89 -9.45 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.456 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 36.8 m80 -130.95 75.2 78.97 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.8 -22.34 73.31 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.44 2.093 . . . . 0.0 112.104 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.53 27.23 7.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 18' ' ' HIS . . . -136.86 99.35 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pt -79.37 115.32 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.52 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HD21 ' A' ' 39' ' ' LEU . 6.3 mp -57.55 157.7 6.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.211 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.87 152.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.219 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.82 120.3 23.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.71 -178.99 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -101.38 38.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -151.53 103.17 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.91 21.06 11.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.308 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.03 31.19 39.68 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.819 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.585 ' HB3' HG12 ' A' ' 40' ' ' VAL . 1.9 m-20 -70.02 142.55 52.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.689 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.3 mtt -88.83 131.88 34.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.758 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -111.47 126.27 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.246 -179.709 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.624 ' N ' HD13 ' A' ' 33' ' ' ILE . 44.3 t -90.91 113.2 57.25 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.234 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.88 -22.2 13.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.489 2.126 . . . . 0.0 112.903 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 80.6 mm-40 -81.76 -84.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.432 -179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB3' ' HE1' ' A' ' 18' ' ' HIS . 17.2 p -68.79 -22.81 64.25 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.675 0.274 . . . . 0.0 111.119 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 74.15 56.42 5.24 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.616 -179.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.758 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -97.1 171.84 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -179.827 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 31' ' ' ASP . 8.4 t -140.44 68.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.65 HG23 ' CD1' ' A' ' 39' ' ' LEU . 40.0 t -121.64 114.83 44.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.75 80.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.24 159.11 16.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.747 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.37 130.05 38.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.76 144.7 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 46' ' ' ILE . 3.7 tt -94.41 51.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.32 167.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.668 HG22 ' H ' ' A' ' 50' ' ' SER . 12.7 p -108.99 138.57 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.94 -28.38 60.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.668 ' H ' HG22 ' A' ' 48' ' ' VAL . 94.4 p -88.37 99.12 12.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -31.81 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -124.45 30.74 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.9 113.5 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' THR . 9.1 t -173.86 60.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 60.13 74.88 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -113.3 141.03 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -99.22 -40.1 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.38 128.01 44.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.97 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -106.51 150.48 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 m -135.39 158.98 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -151.41 169.92 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -87.3 95.59 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.4 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.68 142.72 28.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.617 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -60.29 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -176.6 149.99 0.93 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.76 158.0 6.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.59 2.193 . . . . 0.0 112.287 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.05 162.06 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.05 142.15 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.67 166.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' HB2' HD12 ' A' ' 23' ' ' LEU . 40.8 t -71.39 138.97 83.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' CYS . 33.0 Cg_exo -61.33 -35.21 85.24 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.523 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -105.43 -6.17 19.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.868 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 34.1 m80 -130.47 80.8 69.56 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.02 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -63.81 -46.25 9.15 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.36 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.062 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -87.4 123.48 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 tt -95.31 139.26 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -58.14 116.8 3.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 25' ' ' GLU . 16.0 t -57.77 160.51 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.711 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.477 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.6 mm-40 -106.54 106.34 16.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.209 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.25 142.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.137 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -177.03 102.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.3 ttt180 64.96 21.43 12.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 110.938 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . 75.96 51.51 0.06 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.989 -179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.686 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -129.77 20.34 5.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.845 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.24 -154.88 0.35 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.712 0.256 . . . . 0.0 110.77 179.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -73.5 116.26 13.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 179.901 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -120.1 138.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.41 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 21.0 t -86.11 134.7 38.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.82 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 73.1 Cg_endo -76.02 -1.39 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.285 1.99 . . . . 0.0 112.531 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 5.5 mm-40 -110.28 -77.79 0.59 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.098 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.579 ' SG ' HD23 ' A' ' 39' ' ' LEU . 22.6 p -69.66 -12.95 62.04 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.014 -0.275 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.43 54.41 38.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.426 -0.893 . . . . 0.0 111.962 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.774 HD11 ' CG2' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -99.4 172.22 7.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.63 -179.727 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 30' ' ' GLY . 28.9 t -134.7 113.52 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.319 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.774 ' CG2' HD11 ' A' ' 39' ' ' LEU . 22.7 t -102.59 110.37 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.803 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.52 164.3 53.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.69 -34.61 75.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.336 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -105.67 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 45' ' ' VAL . 15.4 t -140.62 31.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 47' ' ' ASP . 50.4 mm 58.55 160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.511 ' N ' HG22 ' A' ' 46' ' ' ILE . 6.8 m-20 72.18 161.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.85 179.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.294 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -161.22 -162.28 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.433 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.12 164.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.338 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -106.66 120.03 40.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -72.89 146.9 45.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -118.82 175.88 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -72.52 160.16 32.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -103.77 74.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -159.55 108.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -79.78 -56.8 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.5 149.81 47.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.8 -55.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -107.12 -42.43 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -103.49 110.29 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -123.68 32.53 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -174.49 122.55 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.49 153.33 44.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.57 54.35 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.1 tp -71.83 -53.61 6.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 10' ' ' LEU . 68.6 Cg_endo -75.12 70.33 5.4 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.357 -179.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.49 166.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 14' ' ' THR . 19.9 t -92.29 159.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.899 HG22 HG22 ' A' ' 22' ' ' ILE . 38.4 p -125.91 150.69 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 111.141 -179.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' HB2' HD12 ' A' ' 23' ' ' LEU . 42.3 t -62.65 135.77 95.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.75 -22.65 69.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.457 2.104 . . . . 0.0 112.59 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -115.99 -10.69 11.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.643 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 31.2 m80 -125.08 86.31 56.92 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.646 0.26 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.77 -27.98 25.74 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.517 2.145 . . . . 0.0 112.162 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.76 -69.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 35' ' ' PRO . . . -78.56 110.92 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 HG22 ' A' ' 14' ' ' THR . 10.7 pt -81.2 156.18 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.472 -179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mp -75.53 109.39 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.804 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 32' ' ' MET . 6.4 t -57.04 157.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 24' ' ' VAL . 18.3 tt0 -102.11 105.76 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.664 -179.358 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 61.48 90.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.51 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -100.77 54.39 0.86 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.074 179.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.29 110.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.816 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 38.0 33.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.001 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.583 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -138.94 7.46 3.24 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.364 -0.922 . . . . 0.0 113.513 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 52.01 -154.62 0.18 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.169 0.485 . . . . 0.0 110.662 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 25.5 mtt -79.58 117.66 20.71 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 HG22 ' A' ' 40' ' ' VAL . 2.2 pp -123.65 162.01 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 44.3 t -105.64 128.47 26.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.434 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.902 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 53.0 Cg_endo -69.45 -7.12 20.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.166 1.911 . . . . 0.0 112.795 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.837 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 7.6 mm-40 -101.21 -79.51 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.268 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.697 ' SG ' HD23 ' A' ' 39' ' ' LEU . 15.7 p -68.21 -23.69 64.85 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 34' ' ' CYS . . . 72.01 54.88 7.64 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.096 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.792 HD11 HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -101.88 175.76 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.819 HG22 HG22 ' A' ' 33' ' ' ILE . 16.5 t -141.63 109.29 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.889 -179.369 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.792 HG23 HD11 ' A' ' 39' ' ' LEU . 38.7 t -102.58 135.14 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.651 179.211 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.18 24.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -92.96 -35.05 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.69 57.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -64.9 148.82 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 46' ' ' ILE . 3.3 mp -101.02 33.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.056 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -107.48 171.26 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.6 144.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -168.58 -118.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.06 173.54 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -98.23 -33.39 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -82.44 -50.45 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -78.35 75.48 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.1 p -147.4 -46.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -142.52 168.54 19.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.35 96.23 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.95 -27.61 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.55 -75.89 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_