data_2epz_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 2epz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -147.61 75.14 11.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.12 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.98 76.63 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.27 122.9 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.63 116.75 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.86 -11.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.9 -49.63 36.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -109.45 -35.59 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.04 20.56 5.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.13 174.73 9.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.301 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.52 145.65 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -150.16 145.42 26.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 12.0 t -103.57 30.08 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.92 131.65 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.05 16.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.17 -37.93 92.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.19 -56.92 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -53.45 -45.24 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.83 -25.34 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.05 -31.94 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -64.92 -14.8 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.81 -26.71 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.36 -28.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -91.98 -44.75 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 32.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -143.01 75.14 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -15.1 36.91 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -105.36 76.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.31 122.67 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.0 t -54.4 116.85 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.0 pt -83.01 -11.93 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.04 -49.4 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.7 p -109.54 -35.4 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.7 20.71 6.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -76.21 175.07 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.89 145.58 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -150.11 145.53 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.6 t -103.66 29.73 5.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.49 131.59 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.02 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.13 -45.35 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.15 92.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.02 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.42 -45.52 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.62 -25.23 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.12 -31.95 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -64.88 -14.89 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -54.73 -26.76 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.21 -28.75 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -92.04 -44.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -124.01 75.22 58.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.91 36.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -103.22 76.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.5 122.65 47.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.7 t -54.37 116.68 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -11.84 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.06 -49.62 35.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.35 -35.37 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.74 20.71 5.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -76.29 174.84 9.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.72 145.59 51.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -150.1 145.71 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 60.3 m -103.84 29.27 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.01 131.54 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.74 -56.03 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.3 92.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.87 -56.49 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.79 -45.77 70.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.45 -25.06 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -86.09 -32.13 21.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -64.82 -14.87 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -54.87 -26.61 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.65 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -92.0 -44.67 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.879 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.924 0.393 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -128.38 75.09 79.52 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -15.12 37.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.385 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -104.69 76.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.06 123.14 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.8 t -54.94 116.74 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 41.3 pt -82.78 -12.01 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.86 -49.64 36.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.54 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.91 21.12 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.69 174.95 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.49 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -150.19 145.29 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 35.5 t -103.65 30.74 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -166.52 131.75 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.86 -55.98 16.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.21 -45.34 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.25 92.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.82 -56.89 4.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -53.6 -45.55 70.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.55 -25.25 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -85.91 -32.34 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -64.25 -15.29 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -54.79 -26.62 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.98 -28.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.02 -44.69 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -132.74 75.14 73.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.0 76.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.14 123.31 49.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.3 t -54.97 116.86 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.0 pt -82.91 -11.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.1 -49.46 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -109.46 -35.48 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.61 21.29 5.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.83 175.39 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -131.0 145.22 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -149.86 145.32 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 31.5 t -103.65 30.96 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -166.72 131.72 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.84 -56.02 16.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.18 -45.51 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.98 -38.17 92.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.92 -56.73 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -53.8 -45.51 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.76 -24.07 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -87.09 -32.09 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -64.59 -15.1 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -54.91 -26.41 35.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.3 -28.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -92.18 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -145.6 75.12 13.55 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -14.95 36.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.77 75.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.87 126.26 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.33 112.25 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.2 pt -80.02 -1.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.12 -48.34 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.01 -35.51 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.26 19.35 5.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.79 170.52 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.91 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -144.67 146.65 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 38.9 t -103.18 29.7 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.19 132.23 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.7 -56.3 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.1 -47.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -56.62 -35.77 68.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.71 -55.41 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -53.71 -47.96 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.64 -25.3 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -85.85 -32.24 21.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -64.79 -14.87 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -54.81 -26.82 37.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.0 -28.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -91.72 -44.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -147.75 75.07 11.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -15.12 36.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -103.94 75.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.17 126.44 52.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.12 112.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 45.6 pt -80.53 -1.88 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.3 -47.78 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -110.11 -35.26 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.95 6.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -77.28 172.28 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.08 142.58 50.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -145.93 146.47 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.6 t -103.41 29.54 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -165.74 131.86 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -56.26 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.5 mm -51.18 -47.22 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.3 -36.16 74.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.496 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.31 -55.4 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -53.92 -47.26 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.27 -25.17 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -86.01 -32.11 21.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -54.65 -27.0 36.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.9 pt -71.88 -28.73 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -91.92 -44.85 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -133.02 75.1 72.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.13 36.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -104.58 75.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.9 123.42 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.53 116.91 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.0 pt -82.7 -12.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.67 -49.74 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.49 -35.98 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.53 20.74 5.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -76.41 173.59 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.54 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -147.7 145.71 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.0 t -103.53 30.22 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -166.15 131.51 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -55.91 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.19 -45.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.32 -38.69 93.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.49 -56.48 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -53.84 -45.59 70.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.74 -24.26 63.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -86.86 -32.08 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -64.82 -14.93 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -54.86 -26.52 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.5 -28.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.07 -44.45 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -142.1 75.13 20.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.96 36.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.3 75.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.82 124.88 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.4 t -56.22 115.08 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.3 pt -81.82 -7.94 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.66 -48.89 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.4 p -109.62 -35.8 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.56 20.26 5.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.76 173.01 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.95 142.65 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -146.57 145.7 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 15.8 m -103.75 31.46 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -167.37 131.55 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.77 -55.94 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.14 -45.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.25 -56.87 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.49 -45.92 69.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.33 -24.32 63.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -86.95 -32.18 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -64.17 -15.39 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -54.68 -26.76 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.36 -28.93 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -90.9 -45.23 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.941 0.4 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -139.44 74.99 33.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.88 36.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -104.99 76.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.51 122.87 48.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.6 t -54.63 116.65 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 47.3 pt -82.84 -11.76 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.04 -49.68 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.53 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.12 20.64 5.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.27 174.21 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.97 145.92 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -150.42 145.56 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 37.0 t -103.74 30.11 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -166.1 131.8 2.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -56.09 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.02 -45.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.0 -38.26 92.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.94 -56.89 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -53.62 -45.04 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.04 -24.92 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.5 -31.85 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -54.77 -26.64 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.3 -28.77 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.0 -44.73 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 79.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.922 0.391 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -120.71 75.1 26.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.81 36.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.74 75.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.57 121.64 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.1 t -53.74 117.66 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.7 pt -83.75 -12.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.03 -49.46 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 19.7 p -110.09 -36.44 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.71 19.43 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -74.91 171.02 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.22 144.79 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.35 148.11 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 1.2 p -104.85 26.43 9.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.06 132.84 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -52.79 -55.18 24.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.46 -45.34 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.55 93.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.57 -57.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -52.96 -44.98 67.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -59.94 -25.47 65.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -85.84 -32.56 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -63.75 -15.61 59.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -54.75 -26.67 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.48 -28.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -91.55 -43.43 9.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -140.97 75.12 24.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -14.87 36.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -103.76 76.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 123.21 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.13 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.9 pt -83.08 -12.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.5 -49.13 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.5 p -109.46 -35.95 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.94 20.5 6.0 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.84 175.89 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.08 144.4 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -148.89 145.41 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 49.1 m -103.0 31.93 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 130.93 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.24 -55.41 18.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.42 -46.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.24 85.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.81 -55.9 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.31 -48.05 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -57.53 -25.53 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -85.73 -32.04 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -64.96 -14.78 61.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -54.91 -26.64 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.56 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.17 -44.68 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.914 0.387 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -153.46 75.04 6.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.02 36.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.41 76.94 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.22 123.57 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.8 t -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 40.9 pt -83.1 -12.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.71 -49.12 42.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.49 -35.79 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.71 20.53 6.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.98 176.09 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.08 144.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -149.14 145.08 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.4 t -102.82 32.9 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.4 130.97 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.2 -55.29 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.45 -46.53 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.13 -37.53 86.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.59 -55.82 6.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.36 -48.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -57.51 -25.48 59.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -85.7 -32.2 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -64.72 -14.92 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -54.87 -26.7 37.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.26 -28.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -92.15 -44.65 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -149.82 75.15 9.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.75 36.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -101.79 76.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.31 126.05 51.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.4 112.05 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.9 pt -80.15 -1.55 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.03 -48.26 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.12 -34.99 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.75 19.76 5.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -77.63 169.7 17.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 141.7 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -145.07 145.44 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.4 t -102.58 39.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.18 134.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.14 -54.22 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.67 -52.77 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.51 -34.89 43.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.72 -56.65 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.21 -46.12 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.28 -24.49 63.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -87.41 -31.39 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -64.94 -14.82 61.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -54.83 -26.73 37.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.07 -28.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -91.56 -45.05 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -138.27 75.01 40.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.33 36.97 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -104.71 77.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 123.76 49.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 t -54.67 114.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.6 pt -81.61 -6.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.56 -49.0 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.95 -34.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.05 6.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.86 170.57 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.39 146.21 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -150.12 146.51 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 5.3 p -104.47 34.14 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.49 133.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.89 -54.6 32.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.52 -47.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.82 -39.14 91.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.18 -57.57 4.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.94 -45.84 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.39 -24.13 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -87.75 -31.22 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -64.77 -14.99 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -54.76 -26.67 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -71.91 -28.76 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -91.34 -45.12 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -135.31 75.15 59.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.714 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -14.72 36.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.96 77.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.47 125.88 52.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.8 t -55.86 111.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.5 pt -80.14 -1.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.55 -48.25 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.16 -35.05 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.0 19.38 5.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.75 171.56 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.08 144.91 51.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.67 145.42 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.0 m -102.55 37.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.32 135.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.44 -53.87 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.11 -52.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.39 -34.78 42.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -76.49 -57.4 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.58 -46.86 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -58.33 -25.28 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -86.66 -31.28 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -64.9 -14.87 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -54.71 -26.93 36.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -71.92 -28.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -91.68 -44.75 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -125.66 75.0 70.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.515 0.674 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -14.99 36.9 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -103.12 75.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.62 126.19 51.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.3 112.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 50.1 pt -80.06 -1.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.29 -48.15 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.3 p -110.0 -35.49 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.64 5.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.15 170.23 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.76 140.39 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -143.45 146.42 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.49 31.44 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.01 130.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.17 -55.17 19.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.52 -46.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.8 -37.66 85.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.67 -55.62 6.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.45 -47.86 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.0 -24.44 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -87.13 -31.57 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -65.17 -14.71 61.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -54.89 -26.77 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.14 -28.61 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.23 -44.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -129.69 75.07 80.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.06 36.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -102.27 75.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 123.63 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.8 t -55.5 117.09 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.5 pt -83.01 -12.57 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.47 -49.05 45.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.1 p -109.78 -36.17 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.71 20.02 5.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -76.32 171.24 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.41 141.85 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -145.77 144.86 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 2.4 p -102.37 38.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.09 131.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -51.3 -54.36 26.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.4 -49.15 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.27 74.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.46 -56.73 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.36 -47.9 65.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -57.68 -25.74 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -86.03 -31.65 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -64.92 -14.83 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -54.85 -26.65 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.47 -28.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -92.13 -44.68 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -147.98 75.13 10.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.93 36.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -105.18 75.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.56 122.44 47.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.75 116.94 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 28.6 pt -82.87 -12.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -71.88 -49.48 37.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.0 p -109.47 -35.88 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.23 20.36 5.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -75.57 175.32 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -131.51 145.03 51.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -149.36 145.91 27.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 8.5 t -102.89 28.89 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.04 132.24 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.76 -56.43 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.2 mm -51.09 -47.29 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.03 -35.23 68.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.12 -55.2 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -54.04 -47.79 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -57.71 -25.41 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -85.42 -32.57 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -64.65 -15.0 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -54.82 -26.72 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.32 -28.57 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -92.16 -44.23 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 49.8 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -136.45 75.05 52.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.544 0.687 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -15.31 37.3 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -103.88 76.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.91 123.12 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.7 t -55.21 116.98 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.2 pt -82.93 -11.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.07 -49.45 36.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.52 -35.7 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.96 20.45 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -75.79 175.31 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -131.37 144.91 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -149.31 145.69 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 22.7 t -102.99 29.65 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.71 132.3 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.83 -56.33 14.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.28 -47.25 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.42 68.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.99 -55.22 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -54.39 -47.1 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.44 -24.53 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -86.18 -32.73 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.1 -15.46 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -54.82 -26.59 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.2 pt -71.83 -28.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -92.12 -44.69 8.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.135 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 32.3 m -101.48 147.73 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 37.1 t -120.78 162.92 18.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.4 110.8 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 13.7 p -83.21 -53.33 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 8.4 t -77.12 146.6 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 87.72 45.02 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 33.9 p -71.31 -47.29 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 86.79 -174.1 45.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -101.54 116.3 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -147.61 75.14 11.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.12 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.98 76.63 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.27 122.9 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.63 116.75 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.86 -11.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.9 -49.63 36.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -109.45 -35.59 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.04 20.56 5.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.13 174.73 9.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.301 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.52 145.65 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -150.16 145.42 26.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 12.0 t -103.57 30.08 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.92 131.65 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.05 16.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.17 -37.93 92.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.19 -56.92 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -53.45 -45.24 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.83 -25.34 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.05 -31.94 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -64.92 -14.8 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.81 -26.71 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.36 -28.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -91.98 -44.75 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 32.7 p -64.31 119.88 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 133.14 -61.11 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.87 127.68 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -116.4 160.68 35.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 128.39 15.98 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 13.9 m -102.17 175.69 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 100.04 -169.0 21.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.2 6.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 78.6 p -128.76 159.53 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 3.4 m -82.76 -59.25 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.484 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 17.3 p -132.81 -176.44 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 21.1 p -111.59 163.8 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.42 74.87 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 74.9 m -80.92 96.68 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 32.4 t -148.49 133.67 18.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -73.36 -155.32 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.8 m -156.45 131.3 9.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 104.77 143.83 12.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -95.97 130.92 42.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -143.01 75.14 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -15.1 36.91 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -105.36 76.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.31 122.67 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.0 t -54.4 116.85 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.0 pt -83.01 -11.93 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.04 -49.4 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.7 p -109.54 -35.4 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.7 20.71 6.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -76.21 175.07 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.89 145.58 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -150.11 145.53 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.6 t -103.66 29.73 5.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.49 131.59 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.02 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.13 -45.35 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.15 92.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.02 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.42 -45.52 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.62 -25.23 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.12 -31.95 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -64.88 -14.89 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -54.73 -26.76 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.21 -28.75 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -92.04 -44.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 80.9 p -71.53 109.31 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 148.99 -39.03 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.546 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.13 131.53 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm 63.04 160.71 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.567 0.699 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.67 67.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 2.2 m -84.2 174.8 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -142.42 74.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -28.46 24.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 6.8 m -79.55 -62.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 40.3 t -97.7 126.05 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.489 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -109.71 80.61 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 97.3 p -113.5 129.7 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -175.17 95.84 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.0 p -88.39 177.65 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 6.2 t -164.11 159.63 20.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 174.46 -100.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 15.0 t -169.73 170.14 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 105.46 -167.88 15.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -127.84 129.3 46.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -124.01 75.22 58.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.91 36.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -103.22 76.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.5 122.65 47.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.7 t -54.37 116.68 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -11.84 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.06 -49.62 35.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.35 -35.37 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.74 20.71 5.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -76.29 174.84 9.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.72 145.59 51.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -150.1 145.71 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 60.3 m -103.84 29.27 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.01 131.54 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.74 -56.03 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.3 92.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.87 -56.49 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.79 -45.77 70.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.45 -25.06 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -86.09 -32.13 21.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -64.82 -14.87 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -54.87 -26.61 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.65 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -92.0 -44.67 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.3 p -70.82 -31.22 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -69.04 -73.01 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.31 165.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -120.01 160.69 41.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -171.73 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.41 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 70.5 m -142.39 177.84 7.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 141.75 70.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.14 17.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.0 m -77.95 152.75 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 8.2 p -102.39 -56.37 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.537 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 36.6 p -145.44 150.69 36.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 33.4 t -139.98 145.74 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.35 65.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.5 m -95.43 124.62 39.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.4 t -100.32 163.45 12.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -156.39 113.17 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.2 m -60.44 105.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -174.26 169.07 42.03 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -111.61 116.11 30.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -128.38 75.09 79.52 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -15.12 37.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.385 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -104.69 76.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.06 123.14 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.8 t -54.94 116.74 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 41.3 pt -82.78 -12.01 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.86 -49.64 36.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.54 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.91 21.12 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.69 174.95 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.49 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -150.19 145.29 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 35.5 t -103.65 30.74 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -166.52 131.75 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.86 -55.98 16.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.21 -45.34 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.25 92.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.82 -56.89 4.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -53.6 -45.55 70.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.55 -25.25 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -85.91 -32.34 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -64.25 -15.29 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -54.79 -26.62 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.98 -28.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.02 -44.69 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 69.3 p -72.24 137.69 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 86.63 83.11 1.14 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.34 171.76 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -103.53 160.67 25.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.82 2.92 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 88.0 p -131.59 27.11 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 100.75 169.65 28.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 95.07 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 36.9 m -109.86 -177.18 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.5 m -114.17 -59.53 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.497 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 76.3 p -168.91 133.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 97.1 p -158.97 -178.41 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 77.99 80.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.6 p -158.32 144.39 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 39.4 p -168.35 156.07 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -139.63 -64.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.0 t -145.21 165.93 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.337 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 79.33 112.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -85.49 134.2 34.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -132.74 75.14 73.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.0 76.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.14 123.31 49.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.3 t -54.97 116.86 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.0 pt -82.91 -11.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.1 -49.46 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -109.46 -35.48 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.61 21.29 5.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.83 175.39 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -131.0 145.22 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -149.86 145.32 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 31.5 t -103.65 30.96 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -166.72 131.72 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.84 -56.02 16.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.18 -45.51 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.98 -38.17 92.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.92 -56.73 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -53.8 -45.51 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.76 -24.07 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -87.09 -32.09 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -64.59 -15.1 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -54.91 -26.41 35.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.3 -28.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -92.18 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 63.0 p -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.04 89.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.98 -177.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.11 160.67 8.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.31 66.26 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 5.9 p -88.99 141.78 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -59.81 172.45 5.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 132.97 24.42 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 3.7 p -162.19 160.53 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 15.4 p -91.65 -56.23 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 75.0 m -136.28 137.4 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 74.9 m -90.36 142.58 27.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.28 36.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -28.42 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 m -52.09 154.18 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -53.51 140.44 33.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.5 t -167.82 149.2 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -101.0 -154.02 26.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -104.17 160.56 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -145.6 75.12 13.55 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -14.95 36.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.77 75.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.87 126.26 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.33 112.25 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.2 pt -80.02 -1.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.12 -48.34 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.01 -35.51 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.26 19.35 5.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.79 170.52 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.91 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -144.67 146.65 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 38.9 t -103.18 29.7 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.19 132.23 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.7 -56.3 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.1 -47.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -56.62 -35.77 68.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.71 -55.41 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -53.71 -47.96 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.64 -25.3 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -85.85 -32.24 21.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -64.79 -14.87 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -54.81 -26.82 37.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.0 -28.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -91.72 -44.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 52.3 p -68.64 116.75 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -167.06 -142.48 3.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -89.83 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -150.48 160.47 32.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -36.83 10.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 85.5 p -98.84 124.12 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 160.24 75.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.81 7.54 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 m 53.39 37.01 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 20.3 t -73.32 -45.04 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.504 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.6 m -90.22 58.25 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.5 m -98.72 72.91 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 153.61 107.62 0.31 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 93.0 p -93.55 -177.07 4.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 p -96.48 172.05 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.29 60.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 39.5 p -98.7 32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 159.16 -161.3 31.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -119.53 134.87 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -147.75 75.07 11.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -15.12 36.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -103.94 75.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.17 126.44 52.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.12 112.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 45.6 pt -80.53 -1.88 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.3 -47.78 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -110.11 -35.26 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.95 6.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -77.28 172.28 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -130.08 142.58 50.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -145.93 146.47 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.6 t -103.41 29.54 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -165.74 131.86 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -56.26 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.5 mm -51.18 -47.22 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.3 -36.16 74.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.496 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.31 -55.4 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -53.92 -47.26 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.27 -25.17 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -86.01 -32.11 21.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -54.65 -27.0 36.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.9 pt -71.88 -28.73 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -91.92 -44.85 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 44.2 p -74.7 116.48 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 150.23 -48.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.95 169.79 16.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.07 160.68 0.12 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.562 0.696 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.9 t 59.52 33.76 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 130.75 169.21 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.49 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 67.2 m -112.81 159.22 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 47.0 t -162.33 161.74 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.513 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 17.1 p -122.37 178.34 5.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.2 t -64.87 130.5 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -100.14 36.49 4.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 8.0 t -106.2 77.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.39 . . . . 0.0 110.884 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 29.1 t -124.95 51.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -129.56 177.66 17.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 78.6 p -128.33 31.26 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -130.06 -151.3 7.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -105.37 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -133.02 75.1 72.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.13 36.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -104.58 75.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.9 123.42 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.53 116.91 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.0 pt -82.7 -12.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.67 -49.74 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.49 -35.98 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.53 20.74 5.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -76.41 173.59 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.94 143.54 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -147.7 145.71 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.0 t -103.53 30.22 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -166.15 131.51 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -55.91 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.19 -45.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.32 -38.69 93.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.49 -56.48 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -53.84 -45.59 70.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.74 -24.26 63.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -86.86 -32.08 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -64.82 -14.93 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -54.86 -26.52 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.5 -28.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.07 -44.45 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.1 p -66.45 134.23 52.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 160.95 -132.51 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.3 72.72 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -133.28 160.63 67.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 14.3 p -57.37 124.43 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 179.21 68.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.434 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -174.41 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 7.8 t -108.52 -179.13 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 7.0 t -85.25 154.85 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.494 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.551 -0.219 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 1.1 m -153.42 143.08 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 4.4 m -99.28 -28.96 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 107.25 161.73 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.5 t -115.09 77.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 52.2 m -119.23 162.13 19.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -158.8 124.08 1.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 14.4 t -129.11 28.53 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.147 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -166.36 165.94 38.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.92 121.56 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -142.1 75.13 20.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.96 36.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.3 75.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.82 124.88 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.4 t -56.22 115.08 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.3 pt -81.82 -7.94 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.66 -48.89 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.4 p -109.62 -35.8 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.56 20.26 5.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.76 173.01 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.95 142.65 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -146.57 145.7 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 15.8 m -103.75 31.46 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -167.37 131.55 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.77 -55.94 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.14 -45.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.25 -56.87 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.49 -45.92 69.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.33 -24.32 63.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -86.95 -32.18 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -64.17 -15.39 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -54.68 -26.76 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.36 -28.93 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -90.9 -45.23 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 57.3 p -64.96 138.11 58.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 101.3 -62.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.58 174.87 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 160.63 69.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.55 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.2 p -132.16 26.25 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 74.52 75.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 26.2 t -95.51 64.22 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 22.8 t -140.84 126.93 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.495 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 1.3 m -148.51 147.86 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 12.3 t -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -138.34 38.37 1.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.2 t -120.05 127.46 52.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 8.4 t -86.17 113.02 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -88.89 95.45 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.2 m -113.32 113.6 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -145.49 155.09 26.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.89 -177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.4 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -139.44 74.99 33.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.88 36.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -104.99 76.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.51 122.87 48.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.6 t -54.63 116.65 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 47.3 pt -82.84 -11.76 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.04 -49.68 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.53 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.12 20.64 5.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.27 174.21 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.97 145.92 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -150.42 145.56 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 37.0 t -103.74 30.11 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -166.1 131.8 2.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -56.09 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.02 -45.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.0 -38.26 92.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.94 -56.89 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -53.62 -45.04 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.04 -24.92 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.5 -31.85 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -54.77 -26.64 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.3 -28.77 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.0 -44.73 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 79.0 p -71.44 150.41 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 83.65 95.06 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -113.79 166.87 11.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -114.1 159.17 37.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 12.0 m -105.45 140.76 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 158.55 75.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 139.9 41.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 30.9 p -84.62 88.94 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.3 p -125.06 144.85 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.516 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 63.7 m -158.91 137.72 11.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.96 157.09 46.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 152.08 132.97 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.6 t -120.75 122.53 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 p -72.86 155.87 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 109.53 113.36 3.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.0 t -136.7 153.28 50.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.52 159.3 27.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -68.61 121.96 17.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -120.71 75.1 26.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.81 36.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.74 75.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.57 121.64 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.1 t -53.74 117.66 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.7 pt -83.75 -12.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.03 -49.46 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 19.7 p -110.09 -36.44 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.71 19.43 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -74.91 171.02 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.22 144.79 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.35 148.11 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 1.2 p -104.85 26.43 9.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.06 132.84 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -52.79 -55.18 24.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.46 -45.34 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.55 93.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.57 -57.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -52.96 -44.98 67.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -59.94 -25.47 65.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -85.84 -32.56 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -63.75 -15.61 59.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -54.75 -26.67 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.48 -28.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -91.55 -43.43 9.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.9 p -69.29 -25.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -90.23 -52.13 2.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -112.8 93.56 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.97 160.82 48.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.41 6.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.362 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 13.0 t -97.98 -72.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -149.53 68.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -34.58 14.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 3.9 t 61.73 29.27 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 23.6 p -80.12 168.3 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.483 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 4.8 t -66.01 94.46 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.2 m -150.34 157.4 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -166.42 -174.31 35.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.3 m -84.72 127.3 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.2 t -139.21 176.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 147.43 90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.7 p -104.26 74.15 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 142.55 -168.34 25.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -86.97 119.83 27.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -140.97 75.12 24.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -14.87 36.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -103.76 76.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 123.21 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.13 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.9 pt -83.08 -12.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.5 -49.13 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.5 p -109.46 -35.95 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.94 20.5 6.0 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.84 175.89 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.08 144.4 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -148.89 145.41 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 49.1 m -103.0 31.93 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 130.93 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.24 -55.41 18.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.42 -46.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.24 85.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.81 -55.9 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.31 -48.05 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -57.53 -25.53 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -85.73 -32.04 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -64.96 -14.78 61.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -54.91 -26.64 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.56 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.17 -44.68 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 72.5 p -66.35 125.53 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 179.65 117.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -72.6 85.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -76.09 160.71 77.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.5 17.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.8 t 56.48 41.99 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -149.84 71.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.98 31.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 5.7 t -63.4 -58.48 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 91.0 p -131.83 123.74 28.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.492 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.0 m -123.68 123.83 41.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.4 t -140.45 161.62 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -66.76 156.57 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 96.0 p -131.99 170.6 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 6.4 t -163.43 142.82 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -142.86 29.16 2.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 5.1 t -115.98 145.6 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 103.69 167.95 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -78.44 162.44 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -153.46 75.04 6.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.02 36.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.41 76.94 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.22 123.57 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.8 t -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 40.9 pt -83.1 -12.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.71 -49.12 42.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.49 -35.79 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.71 20.53 6.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.98 176.09 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.08 144.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -149.14 145.08 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.4 t -102.82 32.9 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.4 130.97 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.2 -55.29 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.45 -46.53 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.13 -37.53 86.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.59 -55.82 6.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.36 -48.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -57.51 -25.48 59.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -85.7 -32.2 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -64.72 -14.92 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -54.87 -26.7 37.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.26 -28.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -92.15 -44.65 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 40.9 p -70.27 -33.53 71.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -112.69 72.51 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -128.42 152.49 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -149.02 160.68 34.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.28 47.45 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 58.6 m -62.3 139.19 58.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -87.92 168.01 37.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.81 7.61 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.757 2.305 . . . . 0.0 112.315 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 37.1 t -172.89 148.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 31.0 t -147.86 130.97 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.48 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.1 m -94.63 114.04 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.5 t -54.88 108.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 168.89 61.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.9 p -87.81 155.2 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.822 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.0 m -73.05 86.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 64.89 -113.33 5.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 75.6 p -129.41 -51.25 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 54.46 -155.87 7.61 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -132.59 119.94 21.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -149.82 75.15 9.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.75 36.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -101.79 76.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.31 126.05 51.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.4 112.05 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.9 pt -80.15 -1.55 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.03 -48.26 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.12 -34.99 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.75 19.76 5.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -77.63 169.7 17.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 141.7 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -145.07 145.44 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.4 t -102.58 39.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.18 134.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.14 -54.22 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.67 -52.77 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.51 -34.89 43.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.72 -56.65 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.21 -46.12 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.28 -24.49 63.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -87.41 -31.39 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -64.94 -14.82 61.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -54.83 -26.73 37.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.07 -28.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -91.56 -45.05 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 51.5 p -62.98 161.64 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 104.21 -136.84 13.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -103.23 175.34 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.03 160.69 50.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.94 36.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.4 t 54.48 41.04 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 160.66 69.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.72 37.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p -126.17 -41.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.0 m -91.64 117.96 30.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 38.5 m -111.99 139.76 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 8.0 t -150.77 144.44 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 148.13 133.03 2.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.6 p -147.82 -179.8 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.823 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 17.7 p -164.87 143.45 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 111.94 -163.55 12.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.7 t -167.93 149.47 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 141.93 129.54 2.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.19 142.57 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -138.27 75.01 40.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.33 36.97 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -104.71 77.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 123.76 49.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 t -54.67 114.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.6 pt -81.61 -6.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.56 -49.0 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.95 -34.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.05 6.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.86 170.57 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.39 146.21 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -150.12 146.51 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 5.3 p -104.47 34.14 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.49 133.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.89 -54.6 32.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.52 -47.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.82 -39.14 91.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.18 -57.57 4.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.94 -45.84 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.39 -24.13 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -87.75 -31.22 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -64.77 -14.99 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -54.76 -26.67 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -71.91 -28.76 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -91.34 -45.12 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.7 p -71.4 97.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -128.58 -156.01 8.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -88.06 126.23 34.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.385 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 12.5 mttm 63.02 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.38 40.12 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 24.2 m -93.01 118.33 31.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 135.84 -179.78 17.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -44.63 2.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 7.1 t -106.01 151.28 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 9.2 p -88.79 -48.7 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.519 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 7.2 t -67.36 98.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 24.6 m -76.3 116.65 17.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -95.33 114.99 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.5 p -136.22 -179.2 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 20.6 m -104.86 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 179.79 118.58 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.5 p -112.41 175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 103.82 -159.81 16.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.52 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -135.31 75.15 59.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.714 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -14.72 36.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.96 77.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.47 125.88 52.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.8 t -55.86 111.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.5 pt -80.14 -1.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.55 -48.25 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.16 -35.05 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.0 19.38 5.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.75 171.56 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -129.08 144.91 51.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.67 145.42 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.0 m -102.55 37.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.32 135.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.44 -53.87 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.11 -52.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.39 -34.78 42.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -76.49 -57.4 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.58 -46.86 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -58.33 -25.28 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -86.66 -31.28 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -64.9 -14.87 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -54.71 -26.93 36.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -71.92 -28.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -91.68 -44.75 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.0 p -65.92 149.78 49.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 140.39 -52.03 0.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -141.15 124.3 16.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.54 161.12 75.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 83.42 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 81.14 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.08 40.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 26.2 t -89.32 167.91 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 33.2 t -132.67 31.61 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.531 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 10.2 t -94.87 140.09 30.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.54 172.03 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -64.74 -68.3 1.71 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 6.6 t -139.32 156.7 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 47.4 t -164.29 168.69 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 136.9 110.96 1.04 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 82.8 p -99.25 109.34 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.139 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 171.91 -154.53 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -114.16 165.23 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -125.66 75.0 70.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.515 0.674 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -14.99 36.9 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -103.12 75.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.62 126.19 51.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.3 112.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 50.1 pt -80.06 -1.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.29 -48.15 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.3 p -110.0 -35.49 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.64 5.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.15 170.23 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.76 140.39 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -143.45 146.42 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.49 31.44 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.01 130.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.17 -55.17 19.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.52 -46.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.8 -37.66 85.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.67 -55.62 6.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.45 -47.86 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.0 -24.44 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -87.13 -31.57 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -65.17 -14.71 61.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -54.89 -26.77 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.14 -28.61 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.23 -44.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 25.5 p -65.57 145.62 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 111.94 -122.14 5.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.59 170.47 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -120.87 160.7 43.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.93 25.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.87 41.1 21.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -136.96 -74.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 141.7 45.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 31.0 t -94.42 108.55 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 18.1 m -117.72 172.07 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 2.4 m -145.43 177.33 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 95.8 p -155.84 120.9 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -73.74 -143.78 0.73 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 19.2 t -172.64 128.8 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 10.2 p -137.43 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 94.81 149.49 25.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 8.9 t -77.23 155.06 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 111.141 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.4 137.28 4.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.93 129.61 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -129.69 75.07 80.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.06 36.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -102.27 75.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 123.63 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.8 t -55.5 117.09 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.5 pt -83.01 -12.57 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.47 -49.05 45.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.1 p -109.78 -36.17 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.71 20.02 5.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -76.32 171.24 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.41 141.85 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -145.77 144.86 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 2.4 p -102.37 38.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.09 131.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -51.3 -54.36 26.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.4 -49.15 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.27 74.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.46 -56.73 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.36 -47.9 65.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -57.68 -25.74 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -86.03 -31.65 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -64.92 -14.83 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -54.85 -26.65 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.47 -28.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -92.13 -44.68 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.9 p -73.46 167.56 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.99 4.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.18 152.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -148.71 160.67 35.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 133.87 26.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 2.6 t -122.28 117.99 27.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 152.64 175.69 24.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.58 13.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 84.2 p -58.74 149.18 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 80.0 p -130.63 66.24 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 25.6 t -124.77 147.08 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 30.5 m -144.69 110.47 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -66.79 128.42 29.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 82.7 p -74.24 139.84 44.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 22.0 p -67.96 103.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -163.1 76.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 8.9 t -64.73 164.91 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 77.31 116.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.75 -177.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -147.98 75.13 10.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.93 36.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -105.18 75.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.56 122.44 47.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.75 116.94 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 28.6 pt -82.87 -12.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -71.88 -49.48 37.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.0 p -109.47 -35.88 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.23 20.36 5.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -75.57 175.32 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -131.51 145.03 51.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -149.36 145.91 27.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 8.5 t -102.89 28.89 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.04 132.24 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.76 -56.43 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.2 mm -51.09 -47.29 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.03 -35.23 68.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.12 -55.2 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -54.04 -47.79 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -57.71 -25.41 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -85.42 -32.57 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -64.65 -15.0 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -54.82 -26.72 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.32 -28.57 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -92.16 -44.23 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 49.8 p -60.01 105.56 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 133.47 49.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -118.56 146.58 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -154.81 157.58 32.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.78 21.96 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 85.5 p -107.88 149.68 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -64.08 173.55 14.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 31.4 t -133.7 113.73 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.8 t 55.71 51.1 12.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 66.5 m -116.49 140.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.7 t -170.35 141.68 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 176.97 105.9 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.3 p -73.87 172.74 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 30.4 t -147.8 124.71 11.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -161.09 -178.29 34.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.1 m -127.09 135.48 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 135.12 168.28 11.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.12 145.79 27.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -136.45 75.05 52.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.544 0.687 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -15.31 37.3 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -103.88 76.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.91 123.12 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.7 t -55.21 116.98 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.2 pt -82.93 -11.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.07 -49.45 36.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.52 -35.7 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.96 20.45 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -75.79 175.31 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -131.37 144.91 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -149.31 145.69 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 22.7 t -102.99 29.65 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.71 132.3 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.83 -56.33 14.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.28 -47.25 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.42 68.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.99 -55.22 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -54.39 -47.1 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.44 -24.53 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -86.18 -32.73 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.1 -15.46 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -54.82 -26.59 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.2 pt -71.83 -28.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -92.12 -44.69 8.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 73.9 p -71.71 81.69 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 146.15 67.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -89.4 164.02 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.923 0.392 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -115.52 157.59 43.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 101.15 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 52.3 p -146.91 157.34 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 135.11 173.13 12.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 174.37 9.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 10.4 p -100.05 64.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 9.3 t 52.86 44.95 29.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.504 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.422 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 34.9 mttt -147.61 75.14 11.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.12 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.98 76.63 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.27 122.9 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.63 116.75 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.86 -11.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.9 -49.63 36.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -109.45 -35.59 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.04 20.56 5.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.13 174.73 9.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.301 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.422 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.52 145.65 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -150.16 145.42 26.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 12.0 t -103.57 30.08 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.92 131.65 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.05 16.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.17 -37.93 92.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.19 -56.92 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -53.45 -45.24 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.83 -25.34 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.05 -31.94 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -64.92 -14.8 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.81 -26.71 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.36 -28.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -91.98 -44.75 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 32.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.456 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 45.3 mttt -143.01 75.14 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -15.1 36.91 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -105.36 76.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.31 122.67 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.0 t -54.4 116.85 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.0 pt -83.01 -11.93 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.04 -49.4 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.7 p -109.54 -35.4 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.7 20.71 6.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -76.21 175.07 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -130.89 145.58 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -150.11 145.53 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.6 t -103.66 29.73 5.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.49 131.59 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.02 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.13 -45.35 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.15 92.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.02 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.42 -45.52 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.62 -25.23 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.12 -31.95 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -64.88 -14.89 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -54.73 -26.76 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.21 -28.75 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -92.04 -44.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.0 mtmt -124.01 75.22 58.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.91 36.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -103.22 76.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.5 122.65 47.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.7 t -54.37 116.68 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -11.84 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.06 -49.62 35.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.35 -35.37 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.74 20.71 5.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -76.29 174.84 9.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.72 145.59 51.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -150.1 145.71 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 60.3 m -103.84 29.27 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.01 131.54 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.74 -56.03 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.3 92.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.87 -56.49 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.79 -45.77 70.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.45 -25.06 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -86.09 -32.13 21.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -64.82 -14.87 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -54.87 -26.61 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.65 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -92.0 -44.67 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.879 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.924 0.393 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.564 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 8.3 mtmm -128.38 75.09 79.52 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -15.12 37.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.385 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -104.69 76.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.06 123.14 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.8 t -54.94 116.74 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 41.3 pt -82.78 -12.01 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.86 -49.64 36.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.54 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.91 21.12 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.69 174.95 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.49 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -150.19 145.29 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 35.5 t -103.65 30.74 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -166.52 131.75 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.86 -55.98 16.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.21 -45.34 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.25 92.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.82 -56.89 4.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -53.6 -45.55 70.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.55 -25.25 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -85.91 -32.34 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -64.25 -15.29 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -54.79 -26.62 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.98 -28.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.02 -44.69 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.491 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -132.74 75.14 73.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.0 76.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.14 123.31 49.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.3 t -54.97 116.86 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.0 pt -82.91 -11.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.1 -49.46 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -109.46 -35.48 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.61 21.29 5.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.83 175.39 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.491 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -131.0 145.22 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -149.86 145.32 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 31.5 t -103.65 30.96 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -166.72 131.72 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.84 -56.02 16.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.18 -45.51 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.98 -38.17 92.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.92 -56.73 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -53.8 -45.51 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.76 -24.07 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -87.09 -32.09 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -64.59 -15.1 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -54.91 -26.41 35.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.3 -28.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -92.18 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.51 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.3 mtmt -145.6 75.12 13.55 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -14.95 36.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.77 75.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.87 126.26 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.33 112.25 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.2 pt -80.02 -1.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.12 -48.34 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.01 -35.51 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.26 19.35 5.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.79 170.52 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.91 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -144.67 146.65 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 38.9 t -103.18 29.7 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.19 132.23 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.7 -56.3 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.1 -47.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -56.62 -35.77 68.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.71 -55.41 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -53.71 -47.96 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.64 -25.3 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -85.85 -32.24 21.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -64.79 -14.87 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -54.81 -26.82 37.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.0 -28.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -91.72 -44.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.412 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 20.2 mttp -147.75 75.07 11.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -15.12 36.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -103.94 75.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.17 126.44 52.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.12 112.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 45.6 pt -80.53 -1.88 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.3 -47.78 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -110.11 -35.26 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.95 6.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -77.28 172.28 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.412 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.08 142.58 50.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -145.93 146.47 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.6 t -103.41 29.54 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -165.74 131.86 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -56.26 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.5 mm -51.18 -47.22 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.3 -36.16 74.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.496 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.31 -55.4 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -53.92 -47.26 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.27 -25.17 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -86.01 -32.11 21.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -54.65 -27.0 36.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.9 pt -71.88 -28.73 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -91.92 -44.85 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.41 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -133.02 75.1 72.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.13 36.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -104.58 75.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.9 123.42 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.53 116.91 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.0 pt -82.7 -12.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.67 -49.74 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.49 -35.98 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.53 20.74 5.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -76.41 173.59 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.94 143.54 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -147.7 145.71 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.0 t -103.53 30.22 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -166.15 131.51 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -55.91 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.19 -45.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.32 -38.69 93.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.49 -56.48 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -53.84 -45.59 70.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.74 -24.26 63.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -86.86 -32.08 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 528' ' ' THR . 10.5 mtt180 -64.82 -14.93 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -54.86 -26.52 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.5 -28.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.07 -44.45 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 524' ' ' ARG . 22.1 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.438 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 18.9 mttp -142.1 75.13 20.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.96 36.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.3 75.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.82 124.88 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.4 t -56.22 115.08 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.3 pt -81.82 -7.94 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.66 -48.89 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.4 p -109.62 -35.8 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.56 20.26 5.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.76 173.01 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.438 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.95 142.65 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -146.57 145.7 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 15.8 m -103.75 31.46 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -167.37 131.55 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.77 -55.94 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.14 -45.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.25 -56.87 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.49 -45.92 69.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.33 -24.32 63.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -86.95 -32.18 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -64.17 -15.39 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -54.68 -26.76 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.36 -28.93 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -90.9 -45.23 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.941 0.4 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.544 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 7.1 mtmt -139.44 74.99 33.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.88 36.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -104.99 76.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.51 122.87 48.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.6 t -54.63 116.65 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 47.3 pt -82.84 -11.76 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.04 -49.68 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.53 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.12 20.64 5.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.27 174.21 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -129.97 145.92 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -150.42 145.56 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 37.0 t -103.74 30.11 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -166.1 131.8 2.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -56.09 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.02 -45.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.0 -38.26 92.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.94 -56.89 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -53.62 -45.04 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.04 -24.92 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.5 -31.85 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -54.77 -26.64 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.3 -28.77 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.0 -44.73 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 79.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.922 0.391 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.521 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 30.6 mttp -120.71 75.1 26.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.81 36.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.74 75.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.57 121.64 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.1 t -53.74 117.66 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.7 pt -83.75 -12.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.03 -49.46 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 19.7 p -110.09 -36.44 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.71 19.43 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -74.91 171.02 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.521 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -128.22 144.79 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.35 148.11 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 1.2 p -104.85 26.43 9.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.06 132.84 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -52.79 -55.18 24.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.46 -45.34 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.55 93.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.57 -57.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -52.96 -44.98 67.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -59.94 -25.47 65.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -85.84 -32.56 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -63.75 -15.61 59.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -54.75 -26.67 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.48 -28.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -91.55 -43.43 9.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.48 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.0 mtmm -140.97 75.12 24.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -14.87 36.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -103.76 76.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 123.21 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.13 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.9 pt -83.08 -12.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.5 -49.13 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.5 p -109.46 -35.95 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.94 20.5 6.0 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.84 175.89 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.4 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -148.89 145.41 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 49.1 m -103.0 31.93 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 130.93 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.24 -55.41 18.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.42 -46.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.24 85.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.81 -55.9 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.31 -48.05 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -57.53 -25.53 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -85.73 -32.04 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -64.96 -14.78 61.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -54.91 -26.64 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.56 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.17 -44.68 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.914 0.387 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.522 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 49.8 mtmt -153.46 75.04 6.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.02 36.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.41 76.94 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.22 123.57 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.8 t -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 40.9 pt -83.1 -12.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.71 -49.12 42.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.49 -35.79 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.71 20.53 6.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.98 176.09 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -149.14 145.08 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.4 t -102.82 32.9 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.4 130.97 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.2 -55.29 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.45 -46.53 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.13 -37.53 86.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.59 -55.82 6.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.36 -48.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -57.51 -25.48 59.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -85.7 -32.2 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -64.72 -14.92 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -54.87 -26.7 37.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.26 -28.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -92.15 -44.65 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 51.4 mtmt -149.82 75.15 9.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.75 36.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -101.79 76.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.31 126.05 51.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.4 112.05 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.9 pt -80.15 -1.55 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.03 -48.26 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.12 -34.99 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.75 19.76 5.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -77.63 169.7 17.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -127.62 141.7 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -145.07 145.44 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.4 t -102.58 39.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.18 134.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.14 -54.22 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.67 -52.77 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.51 -34.89 43.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.72 -56.65 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.21 -46.12 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.28 -24.49 63.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -87.41 -31.39 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -64.94 -14.82 61.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -54.83 -26.73 37.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.07 -28.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -91.56 -45.05 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -138.27 75.01 40.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.33 36.97 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -104.71 77.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 123.76 49.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 t -54.67 114.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.6 pt -81.61 -6.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.56 -49.0 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.95 -34.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.05 6.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.86 170.57 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.39 146.21 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -150.12 146.51 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 5.3 p -104.47 34.14 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.49 133.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.89 -54.6 32.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.52 -47.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.82 -39.14 91.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.18 -57.57 4.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.94 -45.84 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.39 -24.13 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -87.75 -31.22 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -64.77 -14.99 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -54.76 -26.67 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -71.91 -28.76 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -91.34 -45.12 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.419 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 46.0 mttt -135.31 75.15 59.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.714 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -14.72 36.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.96 77.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.47 125.88 52.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.8 t -55.86 111.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.5 pt -80.14 -1.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.55 -48.25 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.16 -35.05 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.0 19.38 5.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.75 171.56 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.419 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.08 144.91 51.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.67 145.42 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.0 m -102.55 37.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.32 135.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.44 -53.87 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.11 -52.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.39 -34.78 42.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -76.49 -57.4 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.58 -46.86 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -58.33 -25.28 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -86.66 -31.28 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -64.9 -14.87 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -54.71 -26.93 36.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -71.92 -28.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -91.68 -44.75 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -125.66 75.0 70.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.515 0.674 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -14.99 36.9 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -103.12 75.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.62 126.19 51.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.3 112.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 50.1 pt -80.06 -1.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.29 -48.15 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.3 p -110.0 -35.49 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.64 5.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.15 170.23 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.76 140.39 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -143.45 146.42 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.49 31.44 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.01 130.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.17 -55.17 19.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.52 -46.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.8 -37.66 85.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.67 -55.62 6.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.45 -47.86 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.0 -24.44 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -87.13 -31.57 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -65.17 -14.71 61.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -54.89 -26.77 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.14 -28.61 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.23 -44.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.463 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 11.3 mtmm -129.69 75.07 80.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.06 36.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -102.27 75.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 123.63 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.8 t -55.5 117.09 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.5 pt -83.01 -12.57 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.47 -49.05 45.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.1 p -109.78 -36.17 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.71 20.02 5.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -76.32 171.24 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.41 141.85 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -145.77 144.86 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 2.4 p -102.37 38.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.09 131.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -51.3 -54.36 26.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.4 -49.15 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.27 74.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.46 -56.73 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.36 -47.9 65.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -57.68 -25.74 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -86.03 -31.65 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -64.92 -14.83 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -54.85 -26.65 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.47 -28.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -92.13 -44.68 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.453 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 26.6 mttm -147.98 75.13 10.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.93 36.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -105.18 75.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.56 122.44 47.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.75 116.94 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 28.6 pt -82.87 -12.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -71.88 -49.48 37.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.0 p -109.47 -35.88 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.23 20.36 5.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -75.57 175.32 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -131.51 145.03 51.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -149.36 145.91 27.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 8.5 t -102.89 28.89 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.04 132.24 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.76 -56.43 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.2 mm -51.09 -47.29 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.03 -35.23 68.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.12 -55.2 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -54.04 -47.79 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -57.71 -25.41 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -85.42 -32.57 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -64.65 -15.0 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -54.82 -26.72 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.32 -28.57 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -92.16 -44.23 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 49.8 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 503' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.3 mtmm -136.45 75.05 52.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.544 0.687 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -15.31 37.3 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -103.88 76.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.91 123.12 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.7 t -55.21 116.98 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.2 pt -82.93 -11.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.07 -49.45 36.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.52 -35.7 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.96 20.45 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -75.79 175.31 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -131.37 144.91 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -149.31 145.69 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 22.7 t -102.99 29.65 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.71 132.3 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.83 -56.33 14.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.28 -47.25 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.42 68.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.99 -55.22 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -54.39 -47.1 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.44 -24.53 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -86.18 -32.73 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.1 -15.46 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -54.82 -26.59 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.2 pt -71.83 -28.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -92.12 -44.69 8.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.135 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 32.3 m -101.48 147.73 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 37.1 t -120.78 162.92 18.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.4 110.8 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 13.7 p -83.21 -53.33 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 8.4 t -77.12 146.6 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 87.72 45.02 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 33.9 p -71.31 -47.29 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 86.79 -174.1 45.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -101.54 116.3 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.422 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 34.9 mttt -147.61 75.14 11.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.12 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.98 76.63 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.27 122.9 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.63 116.75 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.86 -11.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.9 -49.63 36.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -109.45 -35.59 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.04 20.56 5.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.13 174.73 9.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.301 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.422 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.52 145.65 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -150.16 145.42 26.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 12.0 t -103.57 30.08 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.92 131.65 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.05 16.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.17 -37.93 92.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.19 -56.92 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -53.45 -45.24 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.83 -25.34 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.05 -31.94 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -64.92 -14.8 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.81 -26.71 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.36 -28.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -91.98 -44.75 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 32.7 p -64.31 119.88 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 133.14 -61.11 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.87 127.68 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -116.4 160.68 35.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 128.39 15.98 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 13.9 m -102.17 175.69 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 100.04 -169.0 21.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.2 6.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 78.6 p -128.76 159.53 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 3.4 m -82.76 -59.25 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.484 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 17.3 p -132.81 -176.44 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 21.1 p -111.59 163.8 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.42 74.87 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 74.9 m -80.92 96.68 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 32.4 t -148.49 133.67 18.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -73.36 -155.32 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.8 m -156.45 131.3 9.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 104.77 143.83 12.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -95.97 130.92 42.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.456 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 45.3 mttt -143.01 75.14 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -15.1 36.91 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -105.36 76.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.31 122.67 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.0 t -54.4 116.85 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.0 pt -83.01 -11.93 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.04 -49.4 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.7 p -109.54 -35.4 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.7 20.71 6.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -76.21 175.07 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -130.89 145.58 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -150.11 145.53 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.6 t -103.66 29.73 5.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.49 131.59 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.02 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.13 -45.35 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.15 92.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.02 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.42 -45.52 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.62 -25.23 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.12 -31.95 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -64.88 -14.89 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -54.73 -26.76 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.21 -28.75 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -92.04 -44.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 80.9 p -71.53 109.31 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 148.99 -39.03 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.546 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.13 131.53 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm 63.04 160.71 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.567 0.699 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.67 67.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 2.2 m -84.2 174.8 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -142.42 74.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -28.46 24.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 6.8 m -79.55 -62.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 40.3 t -97.7 126.05 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.489 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -109.71 80.61 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 97.3 p -113.5 129.7 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -175.17 95.84 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.0 p -88.39 177.65 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 6.2 t -164.11 159.63 20.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 174.46 -100.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 15.0 t -169.73 170.14 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 105.46 -167.88 15.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -127.84 129.3 46.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.0 mtmt -124.01 75.22 58.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.91 36.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -103.22 76.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.5 122.65 47.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.7 t -54.37 116.68 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -11.84 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.06 -49.62 35.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.35 -35.37 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.74 20.71 5.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -76.29 174.84 9.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.72 145.59 51.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -150.1 145.71 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 60.3 m -103.84 29.27 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.01 131.54 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.74 -56.03 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.3 92.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.87 -56.49 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.79 -45.77 70.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.45 -25.06 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -86.09 -32.13 21.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -64.82 -14.87 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -54.87 -26.61 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.65 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -92.0 -44.67 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.3 p -70.82 -31.22 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -69.04 -73.01 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.31 165.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -120.01 160.69 41.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -171.73 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.41 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 70.5 m -142.39 177.84 7.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 141.75 70.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.14 17.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.0 m -77.95 152.75 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 8.2 p -102.39 -56.37 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.537 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 36.6 p -145.44 150.69 36.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 33.4 t -139.98 145.74 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.35 65.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.5 m -95.43 124.62 39.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.4 t -100.32 163.45 12.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -156.39 113.17 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.2 m -60.44 105.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -174.26 169.07 42.03 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -111.61 116.11 30.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.564 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 8.3 mtmm -128.38 75.09 79.52 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -15.12 37.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.385 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -104.69 76.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.06 123.14 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.8 t -54.94 116.74 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 41.3 pt -82.78 -12.01 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.86 -49.64 36.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.54 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.91 21.12 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.69 174.95 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.49 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -150.19 145.29 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 35.5 t -103.65 30.74 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -166.52 131.75 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.86 -55.98 16.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.21 -45.34 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.25 92.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.82 -56.89 4.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -53.6 -45.55 70.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.55 -25.25 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -85.91 -32.34 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -64.25 -15.29 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -54.79 -26.62 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.98 -28.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.02 -44.69 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 69.3 p -72.24 137.69 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 86.63 83.11 1.14 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.34 171.76 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -103.53 160.67 25.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.82 2.92 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 88.0 p -131.59 27.11 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 100.75 169.65 28.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 95.07 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 36.9 m -109.86 -177.18 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.5 m -114.17 -59.53 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.497 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 76.3 p -168.91 133.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 97.1 p -158.97 -178.41 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 77.99 80.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.6 p -158.32 144.39 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 39.4 p -168.35 156.07 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -139.63 -64.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.0 t -145.21 165.93 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.337 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 79.33 112.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -85.49 134.2 34.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.491 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -132.74 75.14 73.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.0 76.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.14 123.31 49.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.3 t -54.97 116.86 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.0 pt -82.91 -11.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.1 -49.46 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -109.46 -35.48 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.61 21.29 5.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.83 175.39 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.491 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -131.0 145.22 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -149.86 145.32 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 31.5 t -103.65 30.96 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -166.72 131.72 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.84 -56.02 16.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.18 -45.51 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.98 -38.17 92.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.92 -56.73 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -53.8 -45.51 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.76 -24.07 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -87.09 -32.09 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -64.59 -15.1 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -54.91 -26.41 35.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.3 -28.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -92.18 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 63.0 p -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.04 89.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.98 -177.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.11 160.67 8.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.31 66.26 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 5.9 p -88.99 141.78 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -59.81 172.45 5.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 132.97 24.42 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 3.7 p -162.19 160.53 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 15.4 p -91.65 -56.23 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 75.0 m -136.28 137.4 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 74.9 m -90.36 142.58 27.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.28 36.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -28.42 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 m -52.09 154.18 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -53.51 140.44 33.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.5 t -167.82 149.2 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -101.0 -154.02 26.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -104.17 160.56 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.51 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.3 mtmt -145.6 75.12 13.55 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -14.95 36.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.77 75.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.87 126.26 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.33 112.25 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.2 pt -80.02 -1.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.12 -48.34 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.01 -35.51 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.26 19.35 5.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.79 170.52 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.91 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -144.67 146.65 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 38.9 t -103.18 29.7 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.19 132.23 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.7 -56.3 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.1 -47.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -56.62 -35.77 68.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.71 -55.41 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -53.71 -47.96 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.64 -25.3 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -85.85 -32.24 21.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -64.79 -14.87 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -54.81 -26.82 37.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.0 -28.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -91.72 -44.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 52.3 p -68.64 116.75 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -167.06 -142.48 3.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -89.83 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -150.48 160.47 32.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -36.83 10.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 85.5 p -98.84 124.12 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 160.24 75.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.81 7.54 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 m 53.39 37.01 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 20.3 t -73.32 -45.04 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.504 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.6 m -90.22 58.25 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.5 m -98.72 72.91 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 153.61 107.62 0.31 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 93.0 p -93.55 -177.07 4.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 p -96.48 172.05 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.29 60.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 39.5 p -98.7 32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 159.16 -161.3 31.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -119.53 134.87 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.412 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 20.2 mttp -147.75 75.07 11.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -15.12 36.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -103.94 75.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.17 126.44 52.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.12 112.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 45.6 pt -80.53 -1.88 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.3 -47.78 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -110.11 -35.26 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.95 6.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -77.28 172.28 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.412 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.08 142.58 50.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -145.93 146.47 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.6 t -103.41 29.54 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -165.74 131.86 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -56.26 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.5 mm -51.18 -47.22 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.3 -36.16 74.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.496 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.31 -55.4 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -53.92 -47.26 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.27 -25.17 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -86.01 -32.11 21.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -54.65 -27.0 36.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.9 pt -71.88 -28.73 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -91.92 -44.85 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 44.2 p -74.7 116.48 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 150.23 -48.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.95 169.79 16.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.07 160.68 0.12 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.562 0.696 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.9 t 59.52 33.76 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 130.75 169.21 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.49 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 67.2 m -112.81 159.22 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 47.0 t -162.33 161.74 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.513 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 17.1 p -122.37 178.34 5.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.2 t -64.87 130.5 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -100.14 36.49 4.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 8.0 t -106.2 77.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.39 . . . . 0.0 110.884 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 29.1 t -124.95 51.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -129.56 177.66 17.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 78.6 p -128.33 31.26 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -130.06 -151.3 7.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -105.37 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.41 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -133.02 75.1 72.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.13 36.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -104.58 75.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.9 123.42 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.53 116.91 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.0 pt -82.7 -12.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.67 -49.74 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.49 -35.98 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.53 20.74 5.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -76.41 173.59 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.94 143.54 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -147.7 145.71 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.0 t -103.53 30.22 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -166.15 131.51 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -55.91 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.19 -45.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.32 -38.69 93.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.49 -56.48 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -53.84 -45.59 70.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.74 -24.26 63.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -86.86 -32.08 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 528' ' ' THR . 10.5 mtt180 -64.82 -14.93 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -54.86 -26.52 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.5 -28.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.07 -44.45 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 524' ' ' ARG . 22.1 p -66.45 134.23 52.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 160.95 -132.51 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.3 72.72 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -133.28 160.63 67.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 14.3 p -57.37 124.43 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 179.21 68.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.434 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -174.41 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 7.8 t -108.52 -179.13 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 7.0 t -85.25 154.85 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.494 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.551 -0.219 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 1.1 m -153.42 143.08 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 4.4 m -99.28 -28.96 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 107.25 161.73 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.5 t -115.09 77.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 52.2 m -119.23 162.13 19.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -158.8 124.08 1.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 14.4 t -129.11 28.53 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.147 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -166.36 165.94 38.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.92 121.56 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.438 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 18.9 mttp -142.1 75.13 20.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.96 36.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.3 75.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.82 124.88 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.4 t -56.22 115.08 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.3 pt -81.82 -7.94 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.66 -48.89 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.4 p -109.62 -35.8 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.56 20.26 5.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.76 173.01 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.438 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.95 142.65 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -146.57 145.7 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 15.8 m -103.75 31.46 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -167.37 131.55 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.77 -55.94 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.14 -45.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.25 -56.87 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.49 -45.92 69.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.33 -24.32 63.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -86.95 -32.18 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -64.17 -15.39 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -54.68 -26.76 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.36 -28.93 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -90.9 -45.23 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 57.3 p -64.96 138.11 58.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 101.3 -62.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.58 174.87 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 160.63 69.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.55 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.2 p -132.16 26.25 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 74.52 75.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 26.2 t -95.51 64.22 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 22.8 t -140.84 126.93 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.495 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 1.3 m -148.51 147.86 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 12.3 t -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -138.34 38.37 1.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.2 t -120.05 127.46 52.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 8.4 t -86.17 113.02 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -88.89 95.45 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.2 m -113.32 113.6 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -145.49 155.09 26.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.89 -177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.4 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.544 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 7.1 mtmt -139.44 74.99 33.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.88 36.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -104.99 76.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.51 122.87 48.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.6 t -54.63 116.65 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 47.3 pt -82.84 -11.76 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.04 -49.68 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.53 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.12 20.64 5.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.27 174.21 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -129.97 145.92 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -150.42 145.56 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 37.0 t -103.74 30.11 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -166.1 131.8 2.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -56.09 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.02 -45.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.0 -38.26 92.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.94 -56.89 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -53.62 -45.04 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.04 -24.92 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.5 -31.85 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -54.77 -26.64 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.3 -28.77 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.0 -44.73 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 79.0 p -71.44 150.41 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 83.65 95.06 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -113.79 166.87 11.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -114.1 159.17 37.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 12.0 m -105.45 140.76 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 158.55 75.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 139.9 41.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 30.9 p -84.62 88.94 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.3 p -125.06 144.85 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.516 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 63.7 m -158.91 137.72 11.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.96 157.09 46.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 152.08 132.97 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.6 t -120.75 122.53 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 p -72.86 155.87 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 109.53 113.36 3.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.0 t -136.7 153.28 50.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.52 159.3 27.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -68.61 121.96 17.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.521 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 30.6 mttp -120.71 75.1 26.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.81 36.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.74 75.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.57 121.64 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.1 t -53.74 117.66 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.7 pt -83.75 -12.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.03 -49.46 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 19.7 p -110.09 -36.44 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.71 19.43 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -74.91 171.02 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.521 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -128.22 144.79 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.35 148.11 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 1.2 p -104.85 26.43 9.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.06 132.84 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -52.79 -55.18 24.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.46 -45.34 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.55 93.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.57 -57.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -52.96 -44.98 67.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -59.94 -25.47 65.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -85.84 -32.56 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -63.75 -15.61 59.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -54.75 -26.67 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.48 -28.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -91.55 -43.43 9.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.9 p -69.29 -25.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -90.23 -52.13 2.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -112.8 93.56 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.97 160.82 48.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.41 6.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.362 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 13.0 t -97.98 -72.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -149.53 68.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -34.58 14.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 3.9 t 61.73 29.27 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 23.6 p -80.12 168.3 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.483 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 4.8 t -66.01 94.46 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.2 m -150.34 157.4 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -166.42 -174.31 35.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.3 m -84.72 127.3 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.2 t -139.21 176.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 147.43 90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.7 p -104.26 74.15 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 142.55 -168.34 25.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -86.97 119.83 27.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.48 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.0 mtmm -140.97 75.12 24.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -14.87 36.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -103.76 76.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 123.21 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.13 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.9 pt -83.08 -12.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.5 -49.13 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.5 p -109.46 -35.95 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.94 20.5 6.0 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.84 175.89 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.4 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -148.89 145.41 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 49.1 m -103.0 31.93 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 130.93 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.24 -55.41 18.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.42 -46.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.24 85.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.81 -55.9 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.31 -48.05 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -57.53 -25.53 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -85.73 -32.04 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -64.96 -14.78 61.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -54.91 -26.64 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.56 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.17 -44.68 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 72.5 p -66.35 125.53 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 179.65 117.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -72.6 85.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -76.09 160.71 77.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.5 17.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.8 t 56.48 41.99 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -149.84 71.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.98 31.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 5.7 t -63.4 -58.48 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 91.0 p -131.83 123.74 28.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.492 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.0 m -123.68 123.83 41.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.4 t -140.45 161.62 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -66.76 156.57 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 96.0 p -131.99 170.6 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 6.4 t -163.43 142.82 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -142.86 29.16 2.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 5.1 t -115.98 145.6 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 103.69 167.95 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -78.44 162.44 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.522 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 49.8 mtmt -153.46 75.04 6.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.02 36.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.41 76.94 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.22 123.57 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.8 t -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 40.9 pt -83.1 -12.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.71 -49.12 42.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.49 -35.79 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.71 20.53 6.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.98 176.09 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -149.14 145.08 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.4 t -102.82 32.9 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.4 130.97 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.2 -55.29 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.45 -46.53 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.13 -37.53 86.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.59 -55.82 6.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.36 -48.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -57.51 -25.48 59.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -85.7 -32.2 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -64.72 -14.92 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -54.87 -26.7 37.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.26 -28.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -92.15 -44.65 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 40.9 p -70.27 -33.53 71.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -112.69 72.51 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -128.42 152.49 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -149.02 160.68 34.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.28 47.45 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 58.6 m -62.3 139.19 58.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -87.92 168.01 37.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.81 7.61 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.757 2.305 . . . . 0.0 112.315 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 37.1 t -172.89 148.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 31.0 t -147.86 130.97 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.48 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.1 m -94.63 114.04 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.5 t -54.88 108.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 168.89 61.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.9 p -87.81 155.2 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.822 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.0 m -73.05 86.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 64.89 -113.33 5.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 75.6 p -129.41 -51.25 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 54.46 -155.87 7.61 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -132.59 119.94 21.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 51.4 mtmt -149.82 75.15 9.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.75 36.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -101.79 76.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.31 126.05 51.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.4 112.05 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.9 pt -80.15 -1.55 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.03 -48.26 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.12 -34.99 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.75 19.76 5.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -77.63 169.7 17.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -127.62 141.7 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -145.07 145.44 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.4 t -102.58 39.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.18 134.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.14 -54.22 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.67 -52.77 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.51 -34.89 43.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.72 -56.65 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.21 -46.12 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.28 -24.49 63.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -87.41 -31.39 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -64.94 -14.82 61.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -54.83 -26.73 37.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.07 -28.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -91.56 -45.05 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 51.5 p -62.98 161.64 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 104.21 -136.84 13.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -103.23 175.34 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.03 160.69 50.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.94 36.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.4 t 54.48 41.04 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 160.66 69.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.72 37.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p -126.17 -41.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.0 m -91.64 117.96 30.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 38.5 m -111.99 139.76 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 8.0 t -150.77 144.44 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 148.13 133.03 2.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.6 p -147.82 -179.8 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.823 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 17.7 p -164.87 143.45 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 111.94 -163.55 12.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.7 t -167.93 149.47 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 141.93 129.54 2.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.19 142.57 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -138.27 75.01 40.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.33 36.97 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -104.71 77.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 123.76 49.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 t -54.67 114.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.6 pt -81.61 -6.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.56 -49.0 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.95 -34.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.05 6.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.86 170.57 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.39 146.21 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -150.12 146.51 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 5.3 p -104.47 34.14 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.49 133.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.89 -54.6 32.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.52 -47.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.82 -39.14 91.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.18 -57.57 4.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.94 -45.84 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.39 -24.13 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -87.75 -31.22 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -64.77 -14.99 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -54.76 -26.67 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -71.91 -28.76 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -91.34 -45.12 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.7 p -71.4 97.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -128.58 -156.01 8.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -88.06 126.23 34.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.385 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 12.5 mttm 63.02 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.38 40.12 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 24.2 m -93.01 118.33 31.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 135.84 -179.78 17.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -44.63 2.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 7.1 t -106.01 151.28 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 9.2 p -88.79 -48.7 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.519 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 7.2 t -67.36 98.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 24.6 m -76.3 116.65 17.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -95.33 114.99 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.5 p -136.22 -179.2 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 20.6 m -104.86 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 179.79 118.58 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.5 p -112.41 175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 103.82 -159.81 16.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.52 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.419 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 46.0 mttt -135.31 75.15 59.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.714 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -14.72 36.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.96 77.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.47 125.88 52.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.8 t -55.86 111.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.5 pt -80.14 -1.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.55 -48.25 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.16 -35.05 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.0 19.38 5.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.75 171.56 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.419 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.08 144.91 51.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.67 145.42 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.0 m -102.55 37.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.32 135.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.44 -53.87 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.11 -52.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.39 -34.78 42.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -76.49 -57.4 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.58 -46.86 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -58.33 -25.28 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -86.66 -31.28 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -64.9 -14.87 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -54.71 -26.93 36.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -71.92 -28.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -91.68 -44.75 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.0 p -65.92 149.78 49.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 140.39 -52.03 0.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -141.15 124.3 16.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.54 161.12 75.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 83.42 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 81.14 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.08 40.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 26.2 t -89.32 167.91 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 33.2 t -132.67 31.61 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.531 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 10.2 t -94.87 140.09 30.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.54 172.03 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -64.74 -68.3 1.71 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 6.6 t -139.32 156.7 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 47.4 t -164.29 168.69 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 136.9 110.96 1.04 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 82.8 p -99.25 109.34 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.139 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 171.91 -154.53 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -114.16 165.23 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -125.66 75.0 70.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.515 0.674 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -14.99 36.9 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -103.12 75.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.62 126.19 51.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.3 112.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 50.1 pt -80.06 -1.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.29 -48.15 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.3 p -110.0 -35.49 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.64 5.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.15 170.23 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.76 140.39 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -143.45 146.42 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.49 31.44 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.01 130.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.17 -55.17 19.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.52 -46.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.8 -37.66 85.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.67 -55.62 6.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.45 -47.86 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.0 -24.44 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -87.13 -31.57 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -65.17 -14.71 61.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -54.89 -26.77 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.14 -28.61 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.23 -44.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 25.5 p -65.57 145.62 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 111.94 -122.14 5.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.59 170.47 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -120.87 160.7 43.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.93 25.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.87 41.1 21.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -136.96 -74.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 141.7 45.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 31.0 t -94.42 108.55 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 18.1 m -117.72 172.07 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 2.4 m -145.43 177.33 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 95.8 p -155.84 120.9 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -73.74 -143.78 0.73 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 19.2 t -172.64 128.8 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 10.2 p -137.43 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 94.81 149.49 25.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 8.9 t -77.23 155.06 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 111.141 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.4 137.28 4.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.93 129.61 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.463 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 11.3 mtmm -129.69 75.07 80.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.06 36.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -102.27 75.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 123.63 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.8 t -55.5 117.09 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.5 pt -83.01 -12.57 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.47 -49.05 45.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.1 p -109.78 -36.17 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.71 20.02 5.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -76.32 171.24 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.41 141.85 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -145.77 144.86 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 2.4 p -102.37 38.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.09 131.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -51.3 -54.36 26.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.4 -49.15 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.27 74.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.46 -56.73 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.36 -47.9 65.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -57.68 -25.74 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -86.03 -31.65 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -64.92 -14.83 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -54.85 -26.65 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.47 -28.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -92.13 -44.68 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.9 p -73.46 167.56 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.99 4.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.18 152.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -148.71 160.67 35.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 133.87 26.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 2.6 t -122.28 117.99 27.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 152.64 175.69 24.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.58 13.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 84.2 p -58.74 149.18 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 80.0 p -130.63 66.24 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 25.6 t -124.77 147.08 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 30.5 m -144.69 110.47 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -66.79 128.42 29.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 82.7 p -74.24 139.84 44.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 22.0 p -67.96 103.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -163.1 76.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 8.9 t -64.73 164.91 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 77.31 116.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.75 -177.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.453 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 26.6 mttm -147.98 75.13 10.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.93 36.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -105.18 75.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.56 122.44 47.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.75 116.94 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 28.6 pt -82.87 -12.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -71.88 -49.48 37.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.0 p -109.47 -35.88 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.23 20.36 5.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -75.57 175.32 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -131.51 145.03 51.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -149.36 145.91 27.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 8.5 t -102.89 28.89 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.04 132.24 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.76 -56.43 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.2 mm -51.09 -47.29 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.03 -35.23 68.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.12 -55.2 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -54.04 -47.79 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -57.71 -25.41 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -85.42 -32.57 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -64.65 -15.0 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -54.82 -26.72 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.32 -28.57 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -92.16 -44.23 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 49.8 p -60.01 105.56 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 133.47 49.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -118.56 146.58 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -154.81 157.58 32.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.78 21.96 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 85.5 p -107.88 149.68 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -64.08 173.55 14.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 31.4 t -133.7 113.73 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.8 t 55.71 51.1 12.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 66.5 m -116.49 140.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.7 t -170.35 141.68 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 176.97 105.9 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.3 p -73.87 172.74 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 30.4 t -147.8 124.71 11.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -161.09 -178.29 34.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.1 m -127.09 135.48 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 135.12 168.28 11.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.12 145.79 27.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.3 mtmm -136.45 75.05 52.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.544 0.687 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -15.31 37.3 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -103.88 76.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.91 123.12 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.7 t -55.21 116.98 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.2 pt -82.93 -11.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.07 -49.45 36.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.52 -35.7 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.96 20.45 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -75.79 175.31 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -131.37 144.91 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -149.31 145.69 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 22.7 t -102.99 29.65 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.71 132.3 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.83 -56.33 14.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.28 -47.25 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.42 68.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.99 -55.22 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -54.39 -47.1 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.44 -24.53 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -86.18 -32.73 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.1 -15.46 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -54.82 -26.59 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.2 pt -71.83 -28.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -92.12 -44.69 8.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 73.9 p -71.71 81.69 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 146.15 67.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -89.4 164.02 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.923 0.392 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -115.52 157.59 43.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 101.15 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 52.3 p -146.91 157.34 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 135.11 173.13 12.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 174.37 9.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 10.4 p -100.05 64.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 9.3 t 52.86 44.95 29.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.504 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.422 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 34.9 mttt -147.61 75.14 11.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.12 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.98 76.63 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.27 122.9 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.63 116.75 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.86 -11.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.9 -49.63 36.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -109.45 -35.59 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.04 20.56 5.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.13 174.73 9.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.301 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.422 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.52 145.65 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -150.16 145.42 26.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 12.0 t -103.57 30.08 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.92 131.65 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.05 16.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.17 -37.93 92.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.19 -56.92 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -53.45 -45.24 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.83 -25.34 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.05 -31.94 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -64.92 -14.8 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.81 -26.71 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.36 -28.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -91.98 -44.75 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 32.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.456 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 45.3 mttt -143.01 75.14 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -15.1 36.91 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -105.36 76.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.31 122.67 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.0 t -54.4 116.85 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.0 pt -83.01 -11.93 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.04 -49.4 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.7 p -109.54 -35.4 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.7 20.71 6.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -76.21 175.07 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -130.89 145.58 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -150.11 145.53 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.6 t -103.66 29.73 5.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.49 131.59 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.02 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.13 -45.35 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.15 92.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.02 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.42 -45.52 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.62 -25.23 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.12 -31.95 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -64.88 -14.89 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -54.73 -26.76 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.21 -28.75 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -92.04 -44.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.0 mtmt -124.01 75.22 58.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.91 36.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -103.22 76.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.5 122.65 47.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.7 t -54.37 116.68 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -11.84 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.06 -49.62 35.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.35 -35.37 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.74 20.71 5.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -76.29 174.84 9.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.72 145.59 51.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -150.1 145.71 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 60.3 m -103.84 29.27 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.01 131.54 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.74 -56.03 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.3 92.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.87 -56.49 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.79 -45.77 70.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.45 -25.06 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -86.09 -32.13 21.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -64.82 -14.87 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -54.87 -26.61 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.65 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -92.0 -44.67 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.879 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.924 0.393 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.564 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 8.3 mtmm -128.38 75.09 79.52 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -15.12 37.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.385 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -104.69 76.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.06 123.14 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.8 t -54.94 116.74 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 41.3 pt -82.78 -12.01 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.86 -49.64 36.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.54 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.91 21.12 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.69 174.95 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.49 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -150.19 145.29 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 35.5 t -103.65 30.74 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -166.52 131.75 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.86 -55.98 16.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.21 -45.34 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.25 92.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.82 -56.89 4.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -53.6 -45.55 70.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.55 -25.25 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -85.91 -32.34 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -64.25 -15.29 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -54.79 -26.62 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.98 -28.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.02 -44.69 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.861 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.491 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -132.74 75.14 73.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.0 76.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.14 123.31 49.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.3 t -54.97 116.86 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.0 pt -82.91 -11.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.1 -49.46 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -109.46 -35.48 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.61 21.29 5.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.83 175.39 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.491 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -131.0 145.22 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -149.86 145.32 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 31.5 t -103.65 30.96 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -166.72 131.72 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.84 -56.02 16.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.18 -45.51 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.98 -38.17 92.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.92 -56.73 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -53.8 -45.51 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.76 -24.07 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -87.09 -32.09 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -64.59 -15.1 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -54.91 -26.41 35.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.3 -28.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -92.18 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.51 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.3 mtmt -145.6 75.12 13.55 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -14.95 36.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.77 75.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.87 126.26 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.33 112.25 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.2 pt -80.02 -1.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.12 -48.34 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.01 -35.51 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.26 19.35 5.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.79 170.52 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.91 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -144.67 146.65 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 38.9 t -103.18 29.7 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.19 132.23 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.7 -56.3 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.1 -47.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -56.62 -35.77 68.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.71 -55.41 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -53.71 -47.96 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.64 -25.3 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -85.85 -32.24 21.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -64.79 -14.87 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -54.81 -26.82 37.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.0 -28.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -91.72 -44.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.412 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 20.2 mttp -147.75 75.07 11.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -15.12 36.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -103.94 75.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.17 126.44 52.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.12 112.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 45.6 pt -80.53 -1.88 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.3 -47.78 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -110.11 -35.26 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.95 6.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -77.28 172.28 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.412 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.08 142.58 50.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -145.93 146.47 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.6 t -103.41 29.54 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -165.74 131.86 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -56.26 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.5 mm -51.18 -47.22 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.3 -36.16 74.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.496 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.31 -55.4 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -53.92 -47.26 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.27 -25.17 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -86.01 -32.11 21.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -54.65 -27.0 36.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.9 pt -71.88 -28.73 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -91.92 -44.85 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.41 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -133.02 75.1 72.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.13 36.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -104.58 75.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.9 123.42 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.53 116.91 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.0 pt -82.7 -12.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.67 -49.74 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.49 -35.98 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.53 20.74 5.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -76.41 173.59 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.94 143.54 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -147.7 145.71 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.0 t -103.53 30.22 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -166.15 131.51 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -55.91 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.19 -45.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.32 -38.69 93.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.49 -56.48 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -53.84 -45.59 70.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.74 -24.26 63.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -86.86 -32.08 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 528' ' ' THR . 10.5 mtt180 -64.82 -14.93 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -54.86 -26.52 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.5 -28.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.07 -44.45 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 524' ' ' ARG . 22.1 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.438 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 18.9 mttp -142.1 75.13 20.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.96 36.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.3 75.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.82 124.88 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.4 t -56.22 115.08 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.3 pt -81.82 -7.94 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.66 -48.89 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.4 p -109.62 -35.8 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.56 20.26 5.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.76 173.01 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.438 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.95 142.65 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -146.57 145.7 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 15.8 m -103.75 31.46 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -167.37 131.55 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.77 -55.94 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.14 -45.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.25 -56.87 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.49 -45.92 69.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.33 -24.32 63.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -86.95 -32.18 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -64.17 -15.39 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -54.68 -26.76 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.36 -28.93 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -90.9 -45.23 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.941 0.4 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.544 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 7.1 mtmt -139.44 74.99 33.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.88 36.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -104.99 76.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.51 122.87 48.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.6 t -54.63 116.65 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 47.3 pt -82.84 -11.76 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.04 -49.68 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.53 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.12 20.64 5.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.27 174.21 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -129.97 145.92 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -150.42 145.56 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 37.0 t -103.74 30.11 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -166.1 131.8 2.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -56.09 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.02 -45.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.0 -38.26 92.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.94 -56.89 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -53.62 -45.04 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.04 -24.92 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.5 -31.85 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -54.77 -26.64 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.3 -28.77 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.0 -44.73 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 79.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.922 0.391 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.521 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 30.6 mttp -120.71 75.1 26.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.81 36.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.74 75.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.57 121.64 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.1 t -53.74 117.66 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.7 pt -83.75 -12.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.03 -49.46 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 19.7 p -110.09 -36.44 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.71 19.43 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -74.91 171.02 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.521 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -128.22 144.79 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.35 148.11 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 1.2 p -104.85 26.43 9.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.06 132.84 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -52.79 -55.18 24.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.46 -45.34 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.55 93.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.57 -57.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -52.96 -44.98 67.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -59.94 -25.47 65.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -85.84 -32.56 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -63.75 -15.61 59.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -54.75 -26.67 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.48 -28.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -91.55 -43.43 9.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.48 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.0 mtmm -140.97 75.12 24.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -14.87 36.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -103.76 76.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 123.21 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.13 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.9 pt -83.08 -12.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.5 -49.13 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.5 p -109.46 -35.95 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.94 20.5 6.0 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.84 175.89 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.4 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -148.89 145.41 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 49.1 m -103.0 31.93 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 130.93 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.24 -55.41 18.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.42 -46.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.24 85.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.81 -55.9 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.31 -48.05 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -57.53 -25.53 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -85.73 -32.04 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -64.96 -14.78 61.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -54.91 -26.64 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.56 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.17 -44.68 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.914 0.387 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.522 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 49.8 mtmt -153.46 75.04 6.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.02 36.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.41 76.94 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.22 123.57 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.8 t -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 40.9 pt -83.1 -12.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.71 -49.12 42.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.49 -35.79 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.71 20.53 6.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.98 176.09 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -149.14 145.08 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.4 t -102.82 32.9 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.4 130.97 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.2 -55.29 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.45 -46.53 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.13 -37.53 86.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.59 -55.82 6.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.36 -48.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -57.51 -25.48 59.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -85.7 -32.2 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -64.72 -14.92 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -54.87 -26.7 37.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.26 -28.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -92.15 -44.65 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 51.4 mtmt -149.82 75.15 9.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.75 36.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -101.79 76.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.31 126.05 51.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.4 112.05 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.9 pt -80.15 -1.55 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.03 -48.26 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.12 -34.99 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.75 19.76 5.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -77.63 169.7 17.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -127.62 141.7 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -145.07 145.44 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.4 t -102.58 39.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.18 134.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.14 -54.22 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.67 -52.77 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.51 -34.89 43.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.72 -56.65 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.21 -46.12 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.28 -24.49 63.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -87.41 -31.39 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -64.94 -14.82 61.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -54.83 -26.73 37.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.07 -28.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -91.56 -45.05 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -138.27 75.01 40.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.33 36.97 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -104.71 77.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 123.76 49.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 t -54.67 114.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.6 pt -81.61 -6.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.56 -49.0 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.95 -34.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.05 6.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.86 170.57 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.39 146.21 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -150.12 146.51 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 5.3 p -104.47 34.14 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.49 133.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.89 -54.6 32.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.52 -47.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.82 -39.14 91.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.18 -57.57 4.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.94 -45.84 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.39 -24.13 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -87.75 -31.22 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -64.77 -14.99 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -54.76 -26.67 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -71.91 -28.76 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -91.34 -45.12 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.419 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 46.0 mttt -135.31 75.15 59.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.714 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -14.72 36.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.96 77.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.47 125.88 52.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.8 t -55.86 111.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.5 pt -80.14 -1.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.55 -48.25 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.16 -35.05 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.0 19.38 5.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.75 171.56 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.419 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.08 144.91 51.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.67 145.42 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.0 m -102.55 37.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.32 135.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.44 -53.87 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.11 -52.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.39 -34.78 42.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -76.49 -57.4 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.58 -46.86 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -58.33 -25.28 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -86.66 -31.28 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -64.9 -14.87 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -54.71 -26.93 36.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -71.92 -28.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -91.68 -44.75 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -125.66 75.0 70.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.515 0.674 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -14.99 36.9 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -103.12 75.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.62 126.19 51.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.3 112.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 50.1 pt -80.06 -1.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.29 -48.15 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.3 p -110.0 -35.49 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.64 5.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.15 170.23 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.76 140.39 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -143.45 146.42 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.49 31.44 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.01 130.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.17 -55.17 19.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.52 -46.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.8 -37.66 85.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.67 -55.62 6.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.45 -47.86 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.0 -24.44 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -87.13 -31.57 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -65.17 -14.71 61.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -54.89 -26.77 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.14 -28.61 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.23 -44.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.463 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 11.3 mtmm -129.69 75.07 80.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.06 36.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -102.27 75.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 123.63 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.8 t -55.5 117.09 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.5 pt -83.01 -12.57 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.47 -49.05 45.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.1 p -109.78 -36.17 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.71 20.02 5.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -76.32 171.24 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.41 141.85 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -145.77 144.86 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 2.4 p -102.37 38.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.09 131.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -51.3 -54.36 26.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.4 -49.15 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.27 74.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.46 -56.73 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.36 -47.9 65.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -57.68 -25.74 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -86.03 -31.65 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -64.92 -14.83 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -54.85 -26.65 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.47 -28.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -92.13 -44.68 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.453 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 26.6 mttm -147.98 75.13 10.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.93 36.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -105.18 75.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.56 122.44 47.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.75 116.94 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 28.6 pt -82.87 -12.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -71.88 -49.48 37.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.0 p -109.47 -35.88 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.23 20.36 5.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -75.57 175.32 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -131.51 145.03 51.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -149.36 145.91 27.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 8.5 t -102.89 28.89 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.04 132.24 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.76 -56.43 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.2 mm -51.09 -47.29 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.03 -35.23 68.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.12 -55.2 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -54.04 -47.79 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -57.71 -25.41 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -85.42 -32.57 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -64.65 -15.0 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -54.82 -26.72 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.32 -28.57 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -92.16 -44.23 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 49.8 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.3 mtmm -136.45 75.05 52.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.544 0.687 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -15.31 37.3 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -103.88 76.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.91 123.12 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.7 t -55.21 116.98 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.2 pt -82.93 -11.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.07 -49.45 36.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.52 -35.7 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.96 20.45 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -75.79 175.31 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -131.37 144.91 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -149.31 145.69 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 22.7 t -102.99 29.65 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.71 132.3 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.83 -56.33 14.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.28 -47.25 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.42 68.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.99 -55.22 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -54.39 -47.1 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.44 -24.53 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -86.18 -32.73 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.1 -15.46 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -54.82 -26.59 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.2 pt -71.83 -28.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -92.12 -44.69 8.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.135 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 32.3 m -101.48 147.73 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 37.1 t -120.78 162.92 18.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.4 110.8 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 13.7 p -83.21 -53.33 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 8.4 t -77.12 146.6 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 87.72 45.02 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 33.9 p -71.31 -47.29 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 86.79 -174.1 45.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -101.54 116.3 32.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.422 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 34.9 mttt -147.61 75.14 11.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.12 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -104.98 76.63 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.27 122.9 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.63 116.75 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 37.0 pt -82.86 -11.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.9 -49.63 36.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -109.45 -35.59 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.04 20.56 5.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.13 174.73 9.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.301 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.422 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.52 145.65 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -150.16 145.42 26.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 12.0 t -103.57 30.08 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.92 131.65 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.05 16.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.17 -37.93 92.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.19 -56.92 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -53.45 -45.24 69.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -59.83 -25.34 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.05 -31.94 21.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -64.92 -14.8 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.81 -26.71 36.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.36 -28.68 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -91.98 -44.75 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 32.7 p -64.31 119.88 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 133.14 -61.11 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.87 127.68 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -116.4 160.68 35.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 128.39 15.98 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 13.9 m -102.17 175.69 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 100.04 -169.0 21.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.2 6.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 78.6 p -128.76 159.53 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 3.4 m -82.76 -59.25 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.484 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 17.3 p -132.81 -176.44 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 21.1 p -111.59 163.8 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.42 74.87 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 74.9 m -80.92 96.68 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 32.4 t -148.49 133.67 18.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -73.36 -155.32 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.8 m -156.45 131.3 9.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.161 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 104.77 143.83 12.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -95.97 130.92 42.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.456 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 45.3 mttt -143.01 75.14 17.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -15.1 36.91 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -105.36 76.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.31 122.67 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.0 t -54.4 116.85 2.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.0 pt -83.01 -11.93 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.04 -49.4 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.7 p -109.54 -35.4 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.7 20.71 6.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -76.21 175.07 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -130.89 145.58 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -150.11 145.53 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.6 t -103.66 29.73 5.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.49 131.59 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.77 -56.02 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.13 -45.35 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.15 92.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.02 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.42 -45.52 69.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.62 -25.23 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.12 -31.95 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -64.88 -14.89 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -54.73 -26.76 36.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.21 -28.75 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -92.04 -44.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 80.9 p -71.53 109.31 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 148.99 -39.03 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.546 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.13 131.53 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm 63.04 160.71 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.567 0.699 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.67 67.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 2.2 m -84.2 174.8 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -142.42 74.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -28.46 24.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 6.8 m -79.55 -62.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 40.3 t -97.7 126.05 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.489 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -109.71 80.61 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 97.3 p -113.5 129.7 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -175.17 95.84 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.0 p -88.39 177.65 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 6.2 t -164.11 159.63 20.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 174.46 -100.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 15.0 t -169.73 170.14 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 105.46 -167.88 15.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -127.84 129.3 46.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.0 mtmt -124.01 75.22 58.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.91 36.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -103.22 76.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.5 122.65 47.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 21.7 t -54.37 116.68 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -11.84 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.06 -49.62 35.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.35 -35.37 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.74 20.71 5.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -76.29 174.84 9.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.72 145.59 51.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -150.1 145.71 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 60.3 m -103.84 29.27 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.01 131.54 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.74 -56.03 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.18 -45.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.3 92.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.87 -56.49 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.79 -45.77 70.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.45 -25.06 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -86.09 -32.13 21.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -64.82 -14.87 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -54.87 -26.61 36.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.65 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -92.0 -44.67 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.3 p -70.82 -31.22 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -69.04 -73.01 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.31 165.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -120.01 160.69 41.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -171.73 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.41 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 70.5 m -142.39 177.84 7.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 141.75 70.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.14 17.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.0 m -77.95 152.75 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 8.2 p -102.39 -56.37 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.537 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 36.6 p -145.44 150.69 36.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 33.4 t -139.98 145.74 38.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.35 65.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.5 m -95.43 124.62 39.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.4 t -100.32 163.45 12.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -156.39 113.17 0.56 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.2 m -60.44 105.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -174.26 169.07 42.03 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -111.61 116.11 30.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.564 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 8.3 mtmm -128.38 75.09 79.52 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -15.12 37.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.385 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -104.69 76.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.06 123.14 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.8 t -54.94 116.74 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 41.3 pt -82.78 -12.01 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.86 -49.64 36.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.54 6.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.91 21.12 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.69 174.95 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -130.49 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -150.19 145.29 26.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 35.5 t -103.65 30.74 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -166.52 131.75 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.86 -55.98 16.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.21 -45.34 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.25 92.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.82 -56.89 4.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -53.6 -45.55 70.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -59.55 -25.25 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -85.91 -32.34 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -64.25 -15.29 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -54.79 -26.62 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.98 -28.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.02 -44.69 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 69.3 p -72.24 137.69 46.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 86.63 83.11 1.14 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -85.34 171.76 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -103.53 160.67 25.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.82 2.92 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 88.0 p -131.59 27.11 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 100.75 169.65 28.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 95.07 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 36.9 m -109.86 -177.18 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.5 m -114.17 -59.53 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.497 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 76.3 p -168.91 133.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 97.1 p -158.97 -178.41 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 77.99 80.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.6 p -158.32 144.39 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 39.4 p -168.35 156.07 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -139.63 -64.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.0 t -145.21 165.93 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.809 0.337 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 79.33 112.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -85.49 134.2 34.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.491 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -132.74 75.14 73.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.01 36.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.0 76.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.14 123.31 49.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.3 t -54.97 116.86 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.0 pt -82.91 -11.85 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.1 -49.46 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -109.46 -35.48 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.61 21.29 5.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -76.83 175.39 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.491 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -131.0 145.22 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -149.86 145.32 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 31.5 t -103.65 30.96 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -166.72 131.72 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -51.84 -56.02 16.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.18 -45.51 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.98 -38.17 92.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.92 -56.73 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -53.8 -45.51 70.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.76 -24.07 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -87.09 -32.09 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -64.59 -15.1 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -54.91 -26.41 35.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.3 -28.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -92.18 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 63.0 p -70.47 -27.52 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.04 89.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.98 -177.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.11 160.67 8.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.31 66.26 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 5.9 p -88.99 141.78 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -59.81 172.45 5.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 132.97 24.42 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 3.7 p -162.19 160.53 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 15.4 p -91.65 -56.23 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 75.0 m -136.28 137.4 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 74.9 m -90.36 142.58 27.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.28 36.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.9 t -106.87 -28.42 10.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 m -52.09 154.18 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -53.51 140.44 33.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 13.5 t -167.82 149.2 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -101.0 -154.02 26.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -104.17 160.56 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.51 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.3 mtmt -145.6 75.12 13.55 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -14.95 36.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.77 75.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.87 126.26 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.33 112.25 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.2 pt -80.02 -1.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -84.12 -48.34 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -110.01 -35.51 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.26 19.35 5.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.79 170.52 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.91 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -144.67 146.65 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 38.9 t -103.18 29.7 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.19 132.23 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.7 -56.3 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.1 -47.86 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -56.62 -35.77 68.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.71 -55.41 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -53.71 -47.96 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -57.64 -25.3 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -85.85 -32.24 21.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -64.79 -14.87 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -54.81 -26.82 37.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -72.0 -28.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -91.72 -44.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 52.3 p -68.64 116.75 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -167.06 -142.48 3.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -89.83 136.94 32.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -150.48 160.47 32.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -36.83 10.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 85.5 p -98.84 124.12 43.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 160.24 75.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.81 7.54 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.729 2.286 . . . . 0.0 112.304 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 m 53.39 37.01 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 20.3 t -73.32 -45.04 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.504 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.6 m -90.22 58.25 4.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.918 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.5 m -98.72 72.91 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 153.61 107.62 0.31 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 93.0 p -93.55 -177.07 4.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 p -96.48 172.05 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -112.29 60.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 39.5 p -98.7 32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 159.16 -161.3 31.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -119.53 134.87 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.412 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 20.2 mttp -147.75 75.07 11.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -15.12 36.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -103.94 75.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.17 126.44 52.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.12 112.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 45.6 pt -80.53 -1.88 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.3 -47.78 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.1 p -110.11 -35.26 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.95 6.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -77.28 172.28 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.412 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -130.08 142.58 50.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -145.93 146.47 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.6 t -103.41 29.54 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -165.74 131.86 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -56.26 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.5 mm -51.18 -47.22 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.3 -36.16 74.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.496 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.31 -55.4 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -53.92 -47.26 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.27 -25.17 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -86.01 -32.11 21.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -54.65 -27.0 36.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.9 pt -71.88 -28.73 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -91.92 -44.85 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 44.2 p -74.7 116.48 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 150.23 -48.74 0.57 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.95 169.79 16.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.07 160.68 0.12 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.562 0.696 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.9 t 59.52 33.76 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 130.75 169.21 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.49 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 67.2 m -112.81 159.22 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 47.0 t -162.33 161.74 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.513 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 17.1 p -122.37 178.34 5.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.2 t -64.87 130.5 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -100.14 36.49 4.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 8.0 t -106.2 77.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.39 . . . . 0.0 110.884 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 29.1 t -124.95 51.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -129.56 177.66 17.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 78.6 p -128.33 31.26 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -130.06 -151.3 7.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -105.37 154.12 20.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.41 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 26.2 mttm -133.02 75.1 72.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.13 36.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -104.58 75.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.9 123.42 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.53 116.91 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.0 pt -82.7 -12.19 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.67 -49.74 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.49 -35.98 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.53 20.74 5.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -76.41 173.59 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.94 143.54 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -147.7 145.71 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.0 t -103.53 30.22 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -166.15 131.51 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -55.91 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.19 -45.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.32 -38.69 93.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 16.0 tp -71.49 -56.48 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -53.84 -45.59 70.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.74 -24.26 63.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -86.86 -32.08 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 528' ' ' THR . 10.5 mtt180 -64.82 -14.93 60.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -54.86 -26.52 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.5 -28.72 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -92.07 -44.45 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 524' ' ' ARG . 22.1 p -66.45 134.23 52.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 160.95 -132.51 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.3 72.72 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -133.28 160.63 67.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 14.3 p -57.37 124.43 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 179.21 68.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.434 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -174.41 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 7.8 t -108.52 -179.13 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 7.0 t -85.25 154.85 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.494 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.551 -0.219 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 1.1 m -153.42 143.08 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 4.4 m -99.28 -28.96 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 107.25 161.73 21.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.5 t -115.09 77.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 52.2 m -119.23 162.13 19.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -158.8 124.08 1.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 14.4 t -129.11 28.53 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.147 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -166.36 165.94 38.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.92 121.56 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.438 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 18.9 mttp -142.1 75.13 20.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.96 36.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.3 75.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.82 124.88 50.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.4 t -56.22 115.08 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 43.3 pt -81.82 -7.94 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.66 -48.89 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.4 p -109.62 -35.8 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.56 20.26 5.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -76.76 173.01 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.438 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.95 142.65 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -146.57 145.7 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 15.8 m -103.75 31.46 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -167.37 131.55 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.77 -55.94 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.14 -45.45 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.25 -56.87 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -53.49 -45.92 69.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.33 -24.32 63.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -86.95 -32.18 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -64.17 -15.39 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -54.68 -26.76 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.36 -28.93 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -90.9 -45.23 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 57.3 p -64.96 138.11 58.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 101.3 -62.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.58 174.87 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 160.63 69.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.55 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.2 p -132.16 26.25 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 74.52 75.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 26.2 t -95.51 64.22 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 22.8 t -140.84 126.93 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.495 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 1.3 m -148.51 147.86 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 12.3 t -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -138.34 38.37 1.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.2 t -120.05 127.46 52.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 8.4 t -86.17 113.02 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -88.89 95.45 2.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.2 m -113.32 113.6 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -145.49 155.09 26.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.89 -177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.4 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.544 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 7.1 mtmt -139.44 74.99 33.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.88 36.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -104.99 76.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.51 122.87 48.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 22.6 t -54.63 116.65 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 47.3 pt -82.84 -11.76 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.04 -49.68 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.4 p -109.51 -35.53 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.12 20.64 5.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -76.27 174.21 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -129.97 145.92 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -150.42 145.56 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 37.0 t -103.74 30.11 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -166.1 131.8 2.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -51.81 -56.09 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.02 -45.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.0 -38.26 92.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.94 -56.89 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -53.62 -45.04 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.04 -24.92 64.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -86.5 -31.85 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -64.83 -14.88 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -54.77 -26.64 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.3 -28.77 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -92.0 -44.73 8.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 79.0 p -71.44 150.41 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 83.65 95.06 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -113.79 166.87 11.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -114.1 159.17 37.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 12.0 m -105.45 140.76 38.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 158.55 75.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 139.9 41.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 30.9 p -84.62 88.94 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 2.3 p -125.06 144.85 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.516 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 63.7 m -158.91 137.72 11.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.96 157.09 46.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 152.08 132.97 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.6 t -120.75 122.53 40.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 p -72.86 155.87 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 109.53 113.36 3.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.0 t -136.7 153.28 50.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.14 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.52 159.3 27.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -68.61 121.96 17.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.521 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 30.6 mttp -120.71 75.1 26.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.81 36.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.74 75.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.57 121.64 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.1 t -53.74 117.66 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.7 pt -83.75 -12.65 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.03 -49.46 44.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 19.7 p -110.09 -36.44 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.71 19.43 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -74.91 171.02 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.521 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -128.22 144.79 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.35 148.11 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 1.2 p -104.85 26.43 9.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.06 132.84 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -52.79 -55.18 24.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.46 -45.34 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.55 93.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.57 -57.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -52.96 -44.98 67.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -59.94 -25.47 65.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -85.84 -32.56 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -63.75 -15.61 59.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -54.75 -26.67 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.4 pt -71.48 -28.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -91.55 -43.43 9.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 45.9 p -69.29 -25.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -90.23 -52.13 2.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -112.8 93.56 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.393 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.97 160.82 48.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.577 0.703 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 119.41 6.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.621 2.214 . . . . 0.0 112.362 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 13.0 t -97.98 -72.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -149.53 68.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -34.58 14.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 3.9 t 61.73 29.27 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 23.6 p -80.12 168.3 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.483 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 4.8 t -66.01 94.46 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.2 m -150.34 157.4 43.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -166.42 -174.31 35.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.3 m -84.72 127.3 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.2 t -139.21 176.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 147.43 90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.7 p -104.26 74.15 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 142.55 -168.34 25.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -86.97 119.83 27.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.48 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 9.0 mtmm -140.97 75.12 24.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -14.87 36.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -103.76 76.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 123.21 48.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.13 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.9 pt -83.08 -12.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.5 -49.13 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.5 p -109.46 -35.95 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.94 20.5 6.0 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.84 175.89 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.4 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -148.89 145.41 27.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 49.1 m -103.0 31.93 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.26 130.93 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.24 -55.41 18.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.42 -46.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.24 85.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.81 -55.9 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.31 -48.05 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -57.53 -25.53 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -85.73 -32.04 22.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -64.96 -14.78 61.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -54.91 -26.64 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.41 -28.56 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.17 -44.68 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 72.5 p -66.35 125.53 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 179.65 117.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -72.6 85.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -76.09 160.71 77.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 129.5 17.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.682 2.254 . . . . 0.0 112.367 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.8 t 56.48 41.99 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -149.84 71.6 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.98 31.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 5.7 t -63.4 -58.48 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 91.0 p -131.83 123.74 28.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.492 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.0 m -123.68 123.83 41.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 5.4 t -140.45 161.62 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -66.76 156.57 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 96.0 p -131.99 170.6 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 6.4 t -163.43 142.82 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -142.86 29.16 2.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 5.1 t -115.98 145.6 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 103.69 167.95 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -78.44 162.44 26.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.522 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 49.8 mtmt -153.46 75.04 6.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.02 36.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.41 76.94 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.22 123.57 49.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 17.8 t -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 40.9 pt -83.1 -12.43 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.71 -49.12 42.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.49 -35.79 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.71 20.53 6.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -75.98 176.09 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -132.08 144.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -149.14 145.08 27.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.4 t -102.82 32.9 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.4 130.97 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -51.2 -55.29 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.2 mm -51.45 -46.53 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -58.13 -37.53 86.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.59 -55.82 6.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.36 -48.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -57.51 -25.48 59.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -85.7 -32.2 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -64.72 -14.92 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -54.87 -26.7 37.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.6 pt -72.26 -28.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -92.15 -44.65 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 40.9 p -70.27 -33.53 71.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -112.69 72.51 0.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -128.42 152.49 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -149.02 160.68 34.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.28 47.45 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 58.6 m -62.3 139.19 58.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -87.92 168.01 37.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.81 7.61 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.757 2.305 . . . . 0.0 112.315 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 37.1 t -172.89 148.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 31.0 t -147.86 130.97 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.48 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 3.1 m -94.63 114.04 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.5 t -54.88 108.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 168.89 61.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.9 p -87.81 155.2 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.822 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.0 m -73.05 86.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 64.89 -113.33 5.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 75.6 p -129.41 -51.25 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 54.46 -155.87 7.61 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -132.59 119.94 21.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 51.4 mtmt -149.82 75.15 9.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.75 36.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -101.79 76.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.31 126.05 51.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.3 t -56.4 112.05 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.9 pt -80.15 -1.55 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.03 -48.26 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.12 -34.99 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.75 19.76 5.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -77.63 169.7 17.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -127.62 141.7 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -145.07 145.44 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 7.4 t -102.58 39.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.18 134.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.14 -54.22 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.67 -52.77 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.51 -34.89 43.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.2 tp -76.72 -56.65 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.21 -46.12 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.28 -24.49 63.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -87.41 -31.39 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -64.94 -14.82 61.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -54.83 -26.73 37.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.07 -28.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -91.56 -45.05 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 51.5 p -62.98 161.64 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 104.21 -136.84 13.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -103.23 175.34 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.03 160.69 50.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.94 36.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.4 t 54.48 41.04 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 160.66 69.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.72 37.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 78.9 p -126.17 -41.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.0 m -91.64 117.96 30.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 38.5 m -111.99 139.76 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 8.0 t -150.77 144.44 25.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 148.13 133.03 2.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.6 p -147.82 -179.8 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.823 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 17.7 p -164.87 143.45 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 111.94 -163.55 12.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 7.7 t -167.93 149.47 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 141.93 129.54 2.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.19 142.57 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -138.27 75.01 40.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.33 36.97 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -104.71 77.38 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.53 123.76 49.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.3 t -54.67 114.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 44.6 pt -81.61 -6.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.56 -49.0 14.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.95 -34.87 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.05 6.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.86 170.57 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.39 146.21 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -150.12 146.51 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 5.3 p -104.47 34.14 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.49 133.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.89 -54.6 32.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.52 -47.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.82 -39.14 91.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.18 -57.57 4.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.94 -45.84 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.39 -24.13 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -87.75 -31.22 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -64.77 -14.99 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -54.76 -26.67 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -71.91 -28.76 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -91.34 -45.12 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.7 p -71.4 97.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -128.58 -156.01 8.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.471 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -88.06 126.23 34.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.385 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 12.5 mttm 63.02 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.582 0.706 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.38 40.12 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 24.2 m -93.01 118.33 31.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 135.84 -179.78 17.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -44.63 2.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 7.1 t -106.01 151.28 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 9.2 p -88.79 -48.7 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.519 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 7.2 t -67.36 98.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 24.6 m -76.3 116.65 17.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -95.33 114.99 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.5 p -136.22 -179.2 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 20.6 m -104.86 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 179.79 118.58 0.59 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.5 p -112.41 175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 103.82 -159.81 16.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.52 114.78 29.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.419 ' CD ' ' HB1' ' A' ' 513' ' ' ALA . 46.0 mttt -135.31 75.15 59.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.714 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -14.72 36.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.96 77.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.47 125.88 52.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 18.8 t -55.86 111.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 46.5 pt -80.14 -1.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.55 -48.25 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.16 -35.05 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 115.0 19.38 5.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -76.75 171.56 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.419 ' HB1' ' CD ' ' A' ' 503' ' ' LYS . . . -129.08 144.91 51.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -148.67 145.42 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.0 m -102.55 37.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.32 135.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -52.44 -53.87 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 49.0 mm -52.11 -52.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -52.39 -34.78 42.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 13.4 tp -76.49 -57.4 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.58 -46.86 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -58.33 -25.28 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -86.66 -31.28 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -64.9 -14.87 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -54.71 -26.93 36.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.7 pt -71.92 -28.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -91.68 -44.75 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 67.0 p -65.92 149.78 49.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.204 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 140.39 -52.03 0.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -141.15 124.3 16.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.54 161.12 75.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 83.42 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 4.8 m -81.51 81.14 7.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.08 40.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 26.2 t -89.32 167.91 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 33.2 t -132.67 31.61 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.531 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 10.2 t -94.87 140.09 30.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.54 172.03 7.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -64.74 -68.3 1.71 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 6.6 t -139.32 156.7 46.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 47.4 t -164.29 168.69 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 136.9 110.96 1.04 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 82.8 p -99.25 109.34 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 111.139 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 171.91 -154.53 21.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -114.16 165.23 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -125.66 75.0 70.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.515 0.674 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -14.99 36.9 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.262 . . . . 0.0 112.37 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -103.12 75.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.62 126.19 51.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.0 t -57.3 112.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 50.1 pt -80.06 -1.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.29 -48.15 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.3 p -110.0 -35.49 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.64 5.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.15 170.23 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -128.76 140.39 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -143.45 146.42 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.49 31.44 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.01 130.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -51.17 -55.17 19.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.52 -46.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.8 -37.66 85.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.67 -55.62 6.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.45 -47.86 69.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.0 -24.44 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -87.13 -31.57 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -65.17 -14.71 61.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -54.89 -26.77 37.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.14 -28.61 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.23 -44.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 25.5 p -65.57 145.62 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 111.94 -122.14 5.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -78.59 170.47 16.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -120.87 160.7 43.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.93 25.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.87 41.1 21.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -136.96 -74.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 141.7 45.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 31.0 t -94.42 108.55 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 18.1 m -117.72 172.07 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 2.4 m -145.43 177.33 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 95.8 p -155.84 120.9 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -73.74 -143.78 0.73 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 19.2 t -172.64 128.8 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 10.2 p -137.43 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 94.81 149.49 25.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 8.9 t -77.23 155.06 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 111.141 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.4 137.28 4.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.93 129.61 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.463 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 11.3 mtmm -129.69 75.07 80.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.06 36.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -102.27 75.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 123.63 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 16.8 t -55.5 117.09 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 39.5 pt -83.01 -12.57 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.47 -49.05 45.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 20.1 p -109.78 -36.17 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.71 20.02 5.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -76.32 171.24 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -128.41 141.85 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -145.77 144.86 30.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 2.4 p -102.37 38.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.09 131.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -51.3 -54.36 26.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 46.3 mm -51.4 -49.15 32.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.27 74.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.46 -56.73 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.36 -47.9 65.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -57.68 -25.74 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -86.03 -31.65 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -64.92 -14.83 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -54.85 -26.65 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.5 pt -72.47 -28.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -92.13 -44.68 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.9 p -73.46 167.56 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 104.17 -111.99 4.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.18 152.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -148.71 160.67 35.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.577 0.703 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 133.87 26.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 2.6 t -122.28 117.99 27.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 152.64 175.69 24.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.58 13.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.339 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 84.2 p -58.74 149.18 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 80.0 p -130.63 66.24 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 25.6 t -124.77 147.08 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 30.5 m -144.69 110.47 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . -66.79 128.42 29.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 82.7 p -74.24 139.84 44.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 22.0 p -67.96 103.41 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -163.1 76.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 8.9 t -64.73 164.91 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 77.31 116.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.75 -177.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.453 ' HD3' ' HB1' ' A' ' 513' ' ' ALA . 26.6 mttm -147.98 75.13 10.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.93 36.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -105.18 75.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.56 122.44 47.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.75 116.94 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 28.6 pt -82.87 -12.11 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -71.88 -49.48 37.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.0 p -109.47 -35.88 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 114.23 20.36 5.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -75.57 175.32 8.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' A' ' 503' ' ' LYS . . . -131.51 145.03 51.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -149.36 145.91 27.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 8.5 t -102.89 28.89 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -165.04 132.24 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.76 -56.43 13.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.2 mm -51.09 -47.29 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.03 -35.23 68.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.12 -55.2 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -54.04 -47.79 71.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -57.71 -25.41 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -85.42 -32.57 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -64.65 -15.0 60.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -54.82 -26.72 36.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.32 -28.57 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -92.16 -44.23 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 49.8 p -60.01 105.56 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 133.47 49.2 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -118.56 146.58 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -154.81 157.58 32.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.78 21.96 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 85.5 p -107.88 149.68 27.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . -64.08 173.55 14.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 31.4 t -133.7 113.73 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.8 t 55.71 51.1 12.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 66.5 m -116.49 140.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 1.7 t -170.35 141.68 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 176.97 105.9 0.19 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 2.3 p -73.87 172.74 11.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 30.4 t -147.8 124.71 11.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -161.09 -178.29 34.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.1 m -127.09 135.48 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 135.12 168.28 11.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.12 145.79 27.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 513' ' ' ALA . 6.3 mtmm -136.45 75.05 52.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.544 0.687 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -15.31 37.3 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -103.88 76.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.91 123.12 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' CYS . . . . . . . . . . . . . 19.7 t -55.21 116.98 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 17.2 pt -82.93 -11.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.07 -49.45 36.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.52 -35.7 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 113.96 20.45 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -75.79 175.31 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 503' ' ' LYS . . . -131.37 144.91 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -149.31 145.69 27.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 22.7 t -102.99 29.65 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.71 132.3 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.83 -56.33 14.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 48.4 mm -51.28 -47.25 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -57.01 -35.42 68.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.99 -55.22 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -54.39 -47.1 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.44 -24.53 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -86.18 -32.73 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.1 -15.46 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -54.82 -26.59 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 11.2 pt -71.83 -28.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -92.12 -44.69 8.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 73.9 p -71.71 81.69 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . 146.15 67.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -89.4 164.02 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.923 0.392 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -115.52 157.59 43.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 101.15 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.398 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 52.3 p -146.91 157.34 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 135.11 173.13 12.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 174.37 9.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 10.4 p -100.05 64.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 9.3 t 52.86 44.95 29.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.504 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_